N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide

C132H153FN38O16 — CID 157084478

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
SMILESCCC1CC(CC(=O)Nc2cnn3c(NC)cc(Nc4cccc5c4OCCO5)nc23)C1.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CC(C)(C)C3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3nccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/2C23H28N6O3.C22H25FN6O3.C22H26N6O3.C21H22N8O.C21H24N6O3/c1-23(2)11-14(12-23)9-20(30)27-16-13-25-29-19(24-3)10-18(28-22(16)29)26-15-5-4-6-17-21(15)32-8-7-31-17;1-3-14-9-15(10-14)11-21(30)27-17-13-25-29-20(24-2)12-19(28-23(17)29)26-16-5-4-6-18-22(16)32-8-7-31-18;1-12-3-4-13(12)7-20(30)27-16-11-25-29-19(24-2)10-18(28-22(16)29)26-15-8-14(23)9-17-21(15)32-6-5-31-17;1-13-6-7-14(13)10-20(29)26-16-12-24-28-19(23-2)11-18(27-22(16)28)25-15-4-3-5-17-21(15)31-9-8-30-17;1-12-8-13(12)9-19(30)27-16-11-25-29-18(22-2)10-17(28-21(16)29)26-15-5-3-4-14-20(15)24-7-6-23-14;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16/h4-6,10,13-14,24H,7-9,11-12H2,1-3H3,(H,26,28)(H,27,30);4-6,12-15,24H,3,7-11H2,1-2H3,(H,26,28)(H,27,30);8-13,24H,3-7H2,1-2H3,(H,26,28)(H,27,30);3-5,11-14,23H,6-10H2,1-2H3,(H,25,27)(H,26,29);3-7,10-13,22H,8-9H2,1-2H3,(H,26,28)(H,27,30);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28)/t;;;;2*12-,13-/m....00/s1
InChIKeyADXWXADAVBTTHW-GDIVLULOSA-N
MW2546.92 g/mol
LogP22.27
Rot. Bonds37

About N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide

N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide (PubChem CID 157084478) has the molecular formula C132H153FN38O16 and a molecular weight of 2546.92 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
PubChem CID157084478
Molecular FormulaC132H153FN38O16
Molecular Weight2546.92 g/mol
Exact Mass2545.23
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
SMILESCCC1CC(CC(=O)Nc2cnn3c(NC)cc(Nc4cccc5c4OCCO5)nc23)C1.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CC(C)(C)C3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3nccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/2C23H28N6O3.C22H25FN6O3.C22H26N6O3.C21H22N8O.C21H24N6O3/c1-23(2)11-14(12-23)9-20(30)27-16-13-25-29-19(24-3)10-18(28-22(16)29)26-15-5-4-6-17-21(15)32-8-7-31-17;1-3-14-9-15(10-14)11-21(30)27-17-13-25-29-20(24-2)12-19(28-23(17)29)26-16-5-4-6-18-22(16)32-8-7-31-18;1-12-3-4-13(12)7-20(30)27-16-11-25-29-19(24-2)10-18(28-22(16)29)26-15-8-14(23)9-17-21(15)32-6-5-31-17;1-13-6-7-14(13)10-20(29)26-16-12-24-28-19(23-2)11-18(27-22(16)28)25-15-4-3-5-17-21(15)31-9-8-30-17;1-12-8-13(12)9-19(30)27-16-11-25-29-18(22-2)10-17(28-21(16)29)26-15-5-3-4-14-20(15)24-7-6-23-14;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16/h4-6,10,13-14,24H,7-9,11-12H2,1-3H3,(H,26,28)(H,27,30);4-6,12-15,24H,3,7-11H2,1-2H3,(H,26,28)(H,27,30);8-13,24H,3-7H2,1-2H3,(H,26,28)(H,27,30);3-5,11-14,23H,6-10H2,1-2H3,(H,25,27)(H,26,29);3-7,10-13,22H,8-9H2,1-2H3,(H,26,28)(H,27,30);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28)/t;;;;2*12-,13-/m....00/s1
InChIKeyADXWXADAVBTTHW-GDIVLULOSA-N
XLogP22.27
TPSA618.18 Ų
H-Bond Donors18
H-Bond Acceptors48
Rotatable Bonds37
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.92
LogP ≤ 522.27
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1048

Analyze N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide (CID 157084478) is N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide is CCC1CC(CC(=O)Nc2cnn3c(NC)cc(Nc4cccc5c4OCCO5)nc23)C1.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CC(C)(C)C3)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)CC3CCC3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3nccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The InChIKey is ADXWXADAVBTTHW-GDIVLULOSA-N. The full InChI is InChI=1S/2C23H28N6O3.C22H25FN6O3.C22H26N6O3.C21H22N8O.C21H24N6O3/c1-23(2)11-14(12-23)9-20(30)27-16-13-25-29-19(24-3)10-18(28-22(16)29)26-15-5-4-6-17-21(15)32-8-7-31-17;1-3-14-9-15(10-14)11-21(30)27-17-13-25-29-20(24-2)12-19(28-23(17)29)26-16-5-4-6-18-22(16)32-8-7-31-18;1-12-3-4-13(12)7-20(30)27-16-11-25-29-19(24-2)10-18(28-22(16)29)26-15-8-14(23)9-17-21(15)32-6-5-31-17;1-13-6-7-14(13)10-20(29)26-16-12-24-28-19(23-2)11-18(27-22(16)28)25-15-4-3-5-17-21(15)31-9-8-30-17;1-12-8-13(12)9-19(30)27-16-11-25-29-18(22-2)10-17(28-21(16)29)26-15-5-3-4-14-20(15)24-7-6-23-14;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16/h4-6,10,13-14,24H,7-9,11-12H2,1-3H3,(H,26,28)(H,27,30);4-6,12-15,24H,3,7-11H2,1-2H3,(H,26,28)(H,27,30);8-13,24H,3-7H2,1-2H3,(H,26,28)(H,27,30);3-5,11-14,23H,6-10H2,1-2H3,(H,25,27)(H,26,29);3-7,10-13,22H,8-9H2,1-2H3,(H,26,28)(H,27,30);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28)/t;;;;2*12-,13-/m....00/s1.
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide has a molecular weight of 2546.92 g/mol, XLogP of 22.27, 37 rotatable bonds, 18 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3,3-dimethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(3-ethylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclobutyl)acetamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide is sourced from PubChem (CID 157084478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).