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

C32H36N8O2 — CID 134496842

IUPAC(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@H]4CCCN4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H36N8O2/c1-3-42-26-17-27(30-24(19-33)21-36-40(30)22-26)23-9-10-29(35-20-23)39-15-11-32(12-16-39,18-25-7-4-5-13-34-25)37-31(41)28-8-6-14-38(28)2/h4-5,7,9-10,13,17,20-22,28H,3,6,8,11-12,14-16,18H2,1-2H3,(H,37,41)/t28-/m1/s1
InChIKeyZSUKOIAMDOTFHU-MUUNZHRXSA-N
MW564.69 g/mol
LogP3.85
Rot. Bonds8

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

(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 134496842) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide
PubChem CID134496842
Molecular FormulaC32H36N8O2
Molecular Weight564.69 g/mol
Exact Mass564.30
IUPAC Name(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@H]4CCCN4C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C32H36N8O2/c1-3-42-26-17-27(30-24(19-33)21-36-40(30)22-26)23-9-10-29(35-20-23)39-15-11-32(12-16-39,18-25-7-4-5-13-34-25)37-31(41)28-8-6-14-38(28)2/h4-5,7,9-10,13,17,20-22,28H,3,6,8,11-12,14-16,18H2,1-2H3,(H,37,41)/t28-/m1/s1
InChIKeyZSUKOIAMDOTFHU-MUUNZHRXSA-N
XLogP3.85
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.69
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide (CID 134496842) is (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@H]4CCCN4C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is ZSUKOIAMDOTFHU-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-3-42-26-17-27(30-24(19-33)21-36-40(30)22-26)23-9-10-29(35-20-23)39-15-11-32(12-16-39,18-25-7-4-5-13-34-25)37-31(41)28-8-6-14-38(28)2/h4-5,7,9-10,13,17,20-22,28H,3,6,8,11-12,14-16,18H2,1-2H3,(H,37,41)/t28-/m1/s1.
What are the key properties of (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide?
(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134496842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).