N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide

C22H25N5O — CID 58408182

IUPACN-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@H]2CC[C@@H]3[C@H]2CCN3Cc2cccc3ccnn23)c1
InChIInChI=1S/C22H25N5O/c1-15-11-16(13-23-12-15)22(28)25-20-5-6-21-19(20)8-10-26(21)14-18-4-2-3-17-7-9-24-27(17)18/h2-4,7,9,11-13,19-21H,5-6,8,10,14H2,1H3,(H,25,28)/t19-,20-,21+/m0/s1
InChIKeyCAZVNYVGESIZPM-PCCBWWKXSA-N
MW375.48 g/mol
LogP2.82
Rot. Bonds4

About N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide

N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide (PubChem CID 58408182) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide
PubChem CID58408182
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)N[C@H]2CC[C@@H]3[C@H]2CCN3Cc2cccc3ccnn23)c1
InChIInChI=1S/C22H25N5O/c1-15-11-16(13-23-12-15)22(28)25-20-5-6-21-19(20)8-10-26(21)14-18-4-2-3-17-7-9-24-27(17)18/h2-4,7,9,11-13,19-21H,5-6,8,10,14H2,1H3,(H,25,28)/t19-,20-,21+/m0/s1
InChIKeyCAZVNYVGESIZPM-PCCBWWKXSA-N
XLogP2.82
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide (CID 58408182) is N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)N[C@H]2CC[C@@H]3[C@H]2CCN3Cc2cccc3ccnn23)c1.
What is the InChIKey of N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is CAZVNYVGESIZPM-PCCBWWKXSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-11-16(13-23-12-15)22(28)25-20-5-6-21-19(20)8-10-26(21)14-18-4-2-3-17-7-9-24-27(17)18/h2-4,7,9,11-13,19-21H,5-6,8,10,14H2,1H3,(H,25,28)/t19-,20-,21+/m0/s1.
What are the key properties of N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide?
N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,6aR)-1-(pyrazolo[1,5-a]pyridin-7-ylmethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 58408182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).