N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide

C55H59F3N18O9 — CID 159076309

IUPACN-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(C)(C)O4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12
InChIInChI=1S/C19H21FN6O3.C19H22N6O3.C17H16F2N6O3/c1-3-4-17(27)24-13-10-22-26-16(21-2)9-15(25-19(13)26)23-12-7-11(20)8-14-18(12)29-6-5-28-14;1-5-16(26)23-12-10-21-25-15(20-4)9-14(24-18(12)25)22-11-7-6-8-13-17(11)28-19(2,3)27-13;1-3-14(26)23-10-8-21-25-13(20-2)7-12(24-16(10)25)22-9-5-4-6-11-15(9)28-17(18,19)27-11/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);6-10,20H,5H2,1-4H3,(H,22,24)(H,23,26);4-8,20H,3H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKAHICKKRXGEUHK-UHFFFAOYSA-N
MW1173.19 g/mol
LogP9.72
Rot. Bonds16

About N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide

N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide (PubChem CID 159076309) has the molecular formula C55H59F3N18O9 and a molecular weight of 1173.19 g/mol. Its IUPAC name is N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
PubChem CID159076309
Molecular FormulaC55H59F3N18O9
Molecular Weight1173.19 g/mol
Exact Mass1172.47
IUPAC NameN-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
SMILESCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(C)(C)O4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12
InChIInChI=1S/C19H21FN6O3.C19H22N6O3.C17H16F2N6O3/c1-3-4-17(27)24-13-10-22-26-16(21-2)9-15(25-19(13)26)23-12-7-11(20)8-14-18(12)29-6-5-28-14;1-5-16(26)23-12-10-21-25-15(20-4)9-14(24-18(12)25)22-11-7-6-8-13-17(11)28-19(2,3)27-13;1-3-14(26)23-10-8-21-25-13(20-2)7-12(24-16(10)25)22-9-5-4-6-11-15(9)28-17(18,19)27-11/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);6-10,20H,5H2,1-4H3,(H,22,24)(H,23,26);4-8,20H,3H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKAHICKKRXGEUHK-UHFFFAOYSA-N
XLogP9.72
TPSA305.43 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001173.19
LogP ≤ 59.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide with MolForge

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Related Compounds

1-[5-[(7-Fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-(2-methoxyethyl)urea
CID 156337948
2-[[5-[(7-Fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]carbamoylamino]acetamide
CID 156337973
1-[5-(2,3-Dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 156338066
1-(2,2-Difluoroethyl)-3-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 156338069
[5-[(7-Fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 156338125
1-(3,3-Difluoropropyl)-3-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 156338159
1-(2,2-Difluoroethyl)-3-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 156338167
1-[5-[(7-Fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylurea
CID 156338186
1-(3,3-Difluoropropyl)-3-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 156338308
N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 157459556
N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-6-fluoro-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-fluorocyclopropyl]acetamide
CID 157477378
3-cyano-N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 157745735

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The IUPAC name of N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide (CID 159076309) is N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide.
What is the SMILES notation for N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The canonical SMILES for N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide is CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(C)(C)O4)nc12.CCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4c3OC(F)(F)O4)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(F)cc4c3OCCO4)nc12.
What is the InChIKey of N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The InChIKey is KAHICKKRXGEUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3.C19H22N6O3.C17H16F2N6O3/c1-3-4-17(27)24-13-10-22-26-16(21-2)9-15(25-19(13)26)23-12-7-11(20)8-14-18(12)29-6-5-28-14;1-5-16(26)23-12-10-21-25-15(20-4)9-14(24-18(12)25)22-11-7-6-8-13-17(11)28-19(2,3)27-13;1-3-14(26)23-10-8-21-25-13(20-2)7-12(24-16(10)25)22-9-5-4-6-11-15(9)28-17(18,19)27-11/h7-10,21H,3-6H2,1-2H3,(H,23,25)(H,24,27);6-10,20H,5H2,1-4H3,(H,22,24)(H,23,26);4-8,20H,3H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide has a molecular weight of 1173.19 g/mol, XLogP of 9.72, 16 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 159076309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).