(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H18N6O2 — CID 136718362

IUPAC(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccnc1
InChIInChI=1S/C21H18N6O2/c1-13-18(21(28)26-16-7-3-4-8-17(16)29-2)19(14-6-5-9-23-11-14)27-20(25-13)15(10-22)12-24-27/h3-9,11-12,19,25H,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyCZDIGESPVHPIPP-IBGZPJMESA-N
MW386.42 g/mol
LogP3.09
Rot. Bonds4

About (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136718362) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136718362
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccnc1
InChIInChI=1S/C21H18N6O2/c1-13-18(21(28)26-16-7-3-4-8-17(16)29-2)19(14-6-5-9-23-11-14)27-20(25-13)15(10-22)12-24-27/h3-9,11-12,19,25H,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyCZDIGESPVHPIPP-IBGZPJMESA-N
XLogP3.09
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(7R)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 136718363
7-(1,3-benzodioxol-5-yl)-3-cyano-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135653698
3-cyano-5-methyl-N-phenyl-7-(3,4,5-trimethoxyphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135658788
(7S)-7-(4-cyanophenyl)-6-N-(2-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136798150
N-(2-methoxyphenyl)-5-methyl-2-(3-methylphenyl)-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135582078
N-(2-methoxyphenyl)-5-methyl-7-phenyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135721920
(7R)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737298
(7S)-6-N-(2-methoxyphenyl)-5-methyl-3-N,7-bis(3-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136674482
6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 135551078
(7R)-6-N-(2-methoxyphenyl)-5-methyl-7-(3-methylphenyl)-3-N-(4-methylphenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide
CID 136865089
(7S)-7-(4-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-2-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136712418
ethyl 3-cyano-5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 135558656

Frequently Asked Questions

What is the IUPAC name of (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 136718362) is (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccnc1.
What is the InChIKey of (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is CZDIGESPVHPIPP-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-18(21(28)26-16-7-3-4-8-17(16)29-2)19(14-6-5-9-23-11-14)27-20(25-13)15(10-22)12-24-27/h3-9,11-12,19,25H,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
(7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-3-cyano-N-(2-methoxyphenyl)-5-methyl-7-pyridin-3-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136718362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).