6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18ClN5O2 — CID 15999038

IUPAC6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccnc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O2/c1-13-17(9-14-4-6-16(22)7-5-14)21(29)27-19(26-13)18(12-25-27)20(28)24-11-15-3-2-8-23-10-15/h2-8,10,12,25H,9,11H2,1H3,(H,24,28)
InChIKeySPUGBBBSQGVBBE-UHFFFAOYSA-N
MW407.86 g/mol
LogP2.90
Rot. Bonds5

About 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15999038) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15999038
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccnc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN5O2/c1-13-17(9-14-4-6-16(22)7-5-14)21(29)27-19(26-13)18(12-25-27)20(28)24-11-15-3-2-8-23-10-15/h2-8,10,12,25H,9,11H2,1H3,(H,24,28)
InChIKeySPUGBBBSQGVBBE-UHFFFAOYSA-N
XLogP2.90
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)methyl]-5-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273473
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
6-[(4-fluorophenyl)methyl]-5-methyl-N-(2-morpholin-4-ylethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 15996161
3-[(4-chlorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-(pyridin-3-ylmethyl)quinoline-6-carboxamide
CID 91533882
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
5-[(4-chlorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190073
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
1-(4-chlorophenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 24538480
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2,4-dimethyl-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911249
3-chloro-6-(methylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62187059

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15999038) is 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3cccnc3)c[nH]n2c(=O)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SPUGBBBSQGVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-13-17(9-14-4-6-16(22)7-5-14)21(29)27-19(26-13)18(12-25-27)20(28)24-11-15-3-2-8-23-10-15/h2-8,10,12,25H,9,11H2,1H3,(H,24,28).
What are the key properties of 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-5-methyl-7-oxo-N-(pyridin-3-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15999038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).