(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C17H22N4O2 — CID 146102108

IUPAC(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)nc1
InChIInChI=1S/C17H22N4O2/c1-4-12-5-6-13(18-8-12)9-19-17(22)16-14-7-10(2)23-11(3)15(14)20-21-16/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1
InChIKeyYJVBERIMBZXEOB-WDEREUQCSA-N
MW314.39 g/mol
LogP2.32
Rot. Bonds4

About (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146102108) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146102108
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)nc1
InChIInChI=1S/C17H22N4O2/c1-4-12-5-6-13(18-8-12)9-19-17(22)16-14-7-10(2)23-11(3)15(14)20-21-16/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1
InChIKeyYJVBERIMBZXEOB-WDEREUQCSA-N
XLogP2.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 146102108) is (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is CCc1ccc(CNC(=O)c2n[nH]c3c2C[C@H](C)O[C@@H]3C)nc1.
What is the InChIKey of (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is YJVBERIMBZXEOB-WDEREUQCSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12-5-6-13(18-8-12)9-19-17(22)16-14-7-10(2)23-11(3)15(14)20-21-16/h5-6,8,10-11H,4,7,9H2,1-3H3,(H,19,22)(H,20,21)/t10-,11+/m0/s1.
What are the key properties of (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(5-ethyl-2-pyridinyl)methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146102108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).