2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C16H15N5O2 — CID 77094277

IUPAC2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H15N5O2/c22-15(12-7-10-3-1-4-13(10)20-16(12)23)18-8-11-9-19-21-6-2-5-17-14(11)21/h2,5-7,9H,1,3-4,8H2,(H,18,22)(H,20,23)
InChIKeyRYZZOUVFXMXKLQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.84
Rot. Bonds3

About 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 77094277) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID77094277
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C16H15N5O2/c22-15(12-7-10-3-1-4-13(10)20-16(12)23)18-8-11-9-19-21-6-2-5-17-14(11)21/h2,5-7,9H,1,3-4,8H2,(H,18,22)(H,20,23)
InChIKeyRYZZOUVFXMXKLQ-UHFFFAOYSA-N
XLogP0.84
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 72860863
5-cyclohexyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-pyrazole-4-carboxamide
CID 70774352
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71937612
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71891797
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 119074936
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
2-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71892103
2-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71894388
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
2-oxo-N-[(2S)-2-pyridin-3-yl-2-pyrrolidin-1-ylethyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 97078438
N-[(2-ethoxy-3-pyridinyl)methyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 37486921

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 77094277) is 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is O=C(NCc1cnn2cccnc12)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RYZZOUVFXMXKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(12-7-10-3-1-4-13(10)20-16(12)23)18-8-11-9-19-21-6-2-5-17-14(11)21/h2,5-7,9H,1,3-4,8H2,(H,18,22)(H,20,23).
What are the key properties of 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 77094277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).