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

C30H33N7O3 — CID 134436318

IUPAC(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxypropanamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@@H](C)OC)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H33N7O3/c1-4-40-25-15-26(28-23(17-31)19-34-37(28)20-25)22-8-9-27(33-18-22)36-13-10-30(11-14-36,35-29(38)21(2)39-3)16-24-7-5-6-12-32-24/h5-9,12,15,18-21H,4,10-11,13-14,16H2,1-3H3,(H,35,38)/t21-/m1/s1
InChIKeyQEYIBCUCPZJQDG-OAQYLSRUSA-N
MW539.64 g/mol
LogP3.79
Rot. Bonds9

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

(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxypropanamide (PubChem CID 134436318) has the molecular formula C30H33N7O3 and a molecular weight of 539.64 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]-2-methoxypropanamide.

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]-2-methoxypropanamide
PubChem CID134436318
Molecular FormulaC30H33N7O3
Molecular Weight539.64 g/mol
Exact Mass539.26
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]-2-methoxypropanamide
SMILESCCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@@H](C)OC)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C30H33N7O3/c1-4-40-25-15-26(28-23(17-31)19-34-37(28)20-25)22-8-9-27(33-18-22)36-13-10-30(11-14-36,35-29(38)21(2)39-3)16-24-7-5-6-12-32-24/h5-9,12,15,18-21H,4,10-11,13-14,16H2,1-3H3,(H,35,38)/t21-/m1/s1
InChIKeyQEYIBCUCPZJQDG-OAQYLSRUSA-N
XLogP3.79
TPSA117.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 53.79
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]-2-methoxypropanamide 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]-2-methoxypropanamide?
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]-2-methoxypropanamide (CID 134436318) is (2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxypropanamide.
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]-2-methoxypropanamide?
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]-2-methoxypropanamide is CCOc1cc(-c2ccc(N3CCC(Cc4ccccn4)(NC(=O)[C@@H](C)OC)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]-2-methoxypropanamide?
The InChIKey is QEYIBCUCPZJQDG-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H33N7O3/c1-4-40-25-15-26(28-23(17-31)19-34-37(28)20-25)22-8-9-27(33-18-22)36-13-10-30(11-14-36,35-29(38)21(2)39-3)16-24-7-5-6-12-32-24/h5-9,12,15,18-21H,4,10-11,13-14,16H2,1-3H3,(H,35,38)/t21-/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]-2-methoxypropanamide?
(2R)-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methoxypropanamide has a molecular weight of 539.64 g/mol, XLogP of 3.79, 9 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]-2-methoxypropanamide is sourced from PubChem (CID 134436318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).