N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide

C31H31N9O2 — CID 134436317

IUPACN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)c4cncn4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C31H31N9O2/c1-3-42-25-14-26(29-23(16-32)18-36-40(29)20-25)22-7-8-28(35-17-22)39-12-9-31(10-13-39,15-24-6-4-5-11-34-24)37-30(41)27-19-33-21-38(27)2/h4-8,11,14,17-21H,3,9-10,12-13,15H2,1-2H3,(H,37,41)
InChIKeyPLCVOPBYUPNZPE-UHFFFAOYSA-N
MW561.65 g/mol
LogP3.81
Rot. Bonds8

About N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide

N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide (PubChem CID 134436317) has the molecular formula C31H31N9O2 and a molecular weight of 561.65 g/mol. Its IUPAC name is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide
PubChem CID134436317
Molecular FormulaC31H31N9O2
Molecular Weight561.65 g/mol
Exact Mass561.26
IUPAC NameN-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)c4cncn4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C31H31N9O2/c1-3-42-25-14-26(29-23(16-32)18-36-40(29)20-25)22-7-8-28(35-17-22)39-12-9-31(10-13-39,15-24-6-4-5-11-34-24)37-30(41)27-19-33-21-38(27)2/h4-8,11,14,17-21H,3,9-10,12-13,15H2,1-2H3,(H,37,41)
InChIKeyPLCVOPBYUPNZPE-UHFFFAOYSA-N
XLogP3.81
TPSA126.26 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.65
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide (CID 134436317) is N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)c4cncn4C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide?
The InChIKey is PLCVOPBYUPNZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N9O2/c1-3-42-25-14-26(29-23(16-32)18-36-40(29)20-25)22-7-8-28(35-17-22)39-12-9-31(10-13-39,15-24-6-4-5-11-34-24)37-30(41)27-19-33-21-38(27)2/h4-8,11,14,17-21H,3,9-10,12-13,15H2,1-2H3,(H,37,41).
What are the key properties of N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide?
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 134436317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).