N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide

C59H71N19O5 — CID 158908729

IUPACN-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
SMILESCCCC(=O)Nc1cnn2c(NC)cc(C3CN(C(C)C)c4ncccc43)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(C)ccc3OC)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4occc34)nc12
InChIInChI=1S/C21H27N7O.C19H20N6O2.C19H24N6O2/c1-5-7-19(29)25-17-11-24-28-18(22-4)10-16(26-21(17)28)15-12-27(13(2)3)20-14(15)8-6-9-23-20;1-3-5-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-6-4-7-15-12(13)8-9-27-15;1-5-6-18(26)23-14-11-21-25-17(20-3)10-16(24-19(14)25)22-13-9-12(2)7-8-15(13)27-4/h6,8-11,13,15,22H,5,7,12H2,1-4H3,(H,25,29);4,6-11,20H,3,5H2,1-2H3,(H,22,24)(H,23,26);7-11,20H,5-6H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyJGJJEMKQZAOVGQ-UHFFFAOYSA-N
MW1126.34 g/mol
LogP10.83
Rot. Bonds19

About N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide

N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide (PubChem CID 158908729) has the molecular formula C59H71N19O5 and a molecular weight of 1126.34 g/mol. Its IUPAC name is N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
PubChem CID158908729
Molecular FormulaC59H71N19O5
Molecular Weight1126.34 g/mol
Exact Mass1125.59
IUPAC NameN-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
SMILESCCCC(=O)Nc1cnn2c(NC)cc(C3CN(C(C)C)c4ncccc43)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(C)ccc3OC)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4occc34)nc12
InChIInChI=1S/C21H27N7O.C19H20N6O2.C19H24N6O2/c1-5-7-19(29)25-17-11-24-28-18(22-4)10-16(26-21(17)28)15-12-27(13(2)3)20-14(15)8-6-9-23-20;1-3-5-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-6-4-7-15-12(13)8-9-27-15;1-5-6-18(26)23-14-11-21-25-17(20-3)10-16(24-19(14)25)22-13-9-12(2)7-8-15(13)27-4/h6,8-11,13,15,22H,5,7,12H2,1-4H3,(H,25,29);4,6-11,20H,3,5H2,1-2H3,(H,22,24)(H,23,26);7-11,20H,5-6H2,1-4H3,(H,22,24)(H,23,26)
InChIKeyJGJJEMKQZAOVGQ-UHFFFAOYSA-N
XLogP10.83
TPSA276.52 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001126.34
LogP ≤ 510.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide with MolForge

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Related Compounds

4-((2-(2-(2-(2-(4-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carbonyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 155358332
3-[7-[2-[2-[2-[2-[4-[[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168282324
2-amino-4-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-(oxan-4-yl)benzamide
CID 156304044
[2-Amino-4-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]phenyl]-piperazin-1-ylmethanone
CID 156304166
4-[2-[2-[2-[2-[4-[3-[4-Amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 147324330
N-[6-(2,2-difluoroethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536732
N-[6-(cyclopropylmethoxy)-2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166537363
N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-1-oxo-6-propan-2-yloxy-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167251026
N-[6-(cyclopropylmethoxy)-2-[1-[[7-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740967
N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170740978
[2-Amino-4-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 156304165
US20240368194, Example 13
CID 167439846

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The IUPAC name of N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide (CID 158908729) is N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide.
What is the SMILES notation for N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The canonical SMILES for N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide is CCCC(=O)Nc1cnn2c(NC)cc(C3CN(C(C)C)c4ncccc43)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cc(C)ccc3OC)nc12.CCCC(=O)Nc1cnn2c(NC)cc(Nc3cccc4occc34)nc12.
What is the InChIKey of N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
The InChIKey is JGJJEMKQZAOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O.C19H20N6O2.C19H24N6O2/c1-5-7-19(29)25-17-11-24-28-18(22-4)10-16(26-21(17)28)15-12-27(13(2)3)20-14(15)8-6-9-23-20;1-3-5-18(26)23-14-11-21-25-17(20-2)10-16(24-19(14)25)22-13-6-4-7-15-12(13)8-9-27-15;1-5-6-18(26)23-14-11-21-25-17(20-3)10-16(24-19(14)25)22-13-9-12(2)7-8-15(13)27-4/h6,8-11,13,15,22H,5,7,12H2,1-4H3,(H,25,29);4,6-11,20H,3,5H2,1-2H3,(H,22,24)(H,23,26);7-11,20H,5-6H2,1-4H3,(H,22,24)(H,23,26).
What are the key properties of N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide?
N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide has a molecular weight of 1126.34 g/mol, XLogP of 10.83, 19 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-4-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[5-(2-methoxy-5-methylanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;N-[7-(methylamino)-5-(1-propan-2-yl-2,3-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide is sourced from PubChem (CID 158908729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).