N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide

C38H33ClN10O2 — CID 158129042

IUPACN-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc2c(C3CCCC3)cnn12)c1cccnc1.O=C(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C23H21N5O.C15H12ClN5O/c29-23(18-11-6-12-24-14-18)27-21-13-20(17-9-2-1-3-10-17)26-22-19(15-25-28(21)22)16-7-4-5-8-16;16-12-6-13(20-15(22)10-2-1-5-17-7-10)21-14(19-12)11(8-18-21)9-3-4-9/h1-3,6,9-16H,4-5,7-8H2,(H,27,29);1-2,5-9H,3-4H2,(H,20,22)
InChIKeyFSNRRECRKZZJTL-UHFFFAOYSA-N
MW697.20 g/mol
LogP7.61
Rot. Bonds7

About N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide

N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide (PubChem CID 158129042) has the molecular formula C38H33ClN10O2 and a molecular weight of 697.20 g/mol. Its IUPAC name is N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide
PubChem CID158129042
Molecular FormulaC38H33ClN10O2
Molecular Weight697.20 g/mol
Exact Mass696.25
IUPAC NameN-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)nc2c(C3CCCC3)cnn12)c1cccnc1.O=C(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1
InChIInChI=1S/C23H21N5O.C15H12ClN5O/c29-23(18-11-6-12-24-14-18)27-21-13-20(17-9-2-1-3-10-17)26-22-19(15-25-28(21)22)16-7-4-5-8-16;16-12-6-13(20-15(22)10-2-1-5-17-7-10)21-14(19-12)11(8-18-21)9-3-4-9/h1-3,6,9-16H,4-5,7-8H2,(H,27,29);1-2,5-9H,3-4H2,(H,20,22)
InChIKeyFSNRRECRKZZJTL-UHFFFAOYSA-N
XLogP7.61
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.20
LogP ≤ 57.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[1-(5-methyl-2-pyridinyl)-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327832
N-[1-(5-cyclopropyl-2-pyridinyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90271946
N-[6-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-fluoropyridine-4-carboxamide
CID 90241919
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-phenylpyridine-3-carboxamide
CID 118537148
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(1-(pyridin-4-ylcarbamoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538771
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-piperidin-1-ylpyridine-4-carboxamide
CID 165414873
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-pyrrolidin-1-ylpyridine-4-carboxamide
CID 165414893
5-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyridine-3-carboxamide
CID 165415008
N-(6-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415028
N-[1-(4-chlorophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554749
N-[3-(1-methylpiperidin-4-yl)-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554932
N-[3-[1-(1-acetylpiperidin-4-yl)piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66556463

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide (CID 158129042) is N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide is O=C(Nc1cc(-c2ccccc2)nc2c(C3CCCC3)cnn12)c1cccnc1.O=C(Nc1cc(Cl)nc2c(C3CC3)cnn12)c1cccnc1.
What is the InChIKey of N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?
The InChIKey is FSNRRECRKZZJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O.C15H12ClN5O/c29-23(18-11-6-12-24-14-18)27-21-13-20(17-9-2-1-3-10-17)26-22-19(15-25-28(21)22)16-7-4-5-8-16;16-12-6-13(20-15(22)10-2-1-5-17-7-10)21-14(19-12)11(8-18-21)9-3-4-9/h1-3,6,9-16H,4-5,7-8H2,(H,27,29);1-2,5-9H,3-4H2,(H,20,22).
What are the key properties of N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide?
N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide has a molecular weight of 697.20 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopentyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158129042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).