5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

C29H26ClF3N6O5 — CID 121246717

IUPAC5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCC(C(=O)Nc1ccn2ncc(C(=O)NCCC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C29H26ClF3N6O5/c1-43-10-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-9-39-24(12-19)22(15-36-39)27(41)35-8-7-29(31,32)33/h3-5,9,11-13,15-16,23H,6-8,10H2,1-2H3,(H,35,41)(H,37,42)
InChIKeySYZUSCSRAOJBQO-UHFFFAOYSA-N
MW631.01 g/mol
LogP4.60
Rot. Bonds11

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 121246717) has the molecular formula C29H26ClF3N6O5 and a molecular weight of 631.01 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID121246717
Molecular FormulaC29H26ClF3N6O5
Molecular Weight631.01 g/mol
Exact Mass630.16
IUPAC Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOCCC(C(=O)Nc1ccn2ncc(C(=O)NCCC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C29H26ClF3N6O5/c1-43-10-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-9-39-24(12-19)22(15-36-39)27(41)35-8-7-29(31,32)33/h3-5,9,11-13,15-16,23H,6-8,10H2,1-2H3,(H,35,41)(H,37,42)
InChIKeySYZUSCSRAOJBQO-UHFFFAOYSA-N
XLogP4.60
TPSA139.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.01
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 121246717) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is COCCC(C(=O)Nc1ccn2ncc(C(=O)NCCC(F)(F)F)c2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SYZUSCSRAOJBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClF3N6O5/c1-43-10-6-23(38-16-25(44-2)21(13-26(38)40)20-11-18(30)4-3-17(20)14-34)28(42)37-19-5-9-39-24(12-19)22(15-36-39)27(41)35-8-7-29(31,32)33/h3-5,9,11-13,15-16,23H,6-8,10H2,1-2H3,(H,35,41)(H,37,42).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 631.01 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 121246717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).