5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C30H34FN5O — CID 90096034

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC(C)(C)N(C)C(C)(C)C4)c3c2)ccc1F
InChIInChI=1S/C30H34FN5O/c1-19-14-21(9-10-25(19)31)27-23(8-7-12-32-27)20-11-13-36-26(15-20)24(18-33-36)28(37)34-22-16-29(2,3)35(6)30(4,5)17-22/h7-15,18,22H,16-17H2,1-6H3,(H,34,37)
InChIKeyZNBVNDJRXGLZHW-UHFFFAOYSA-N
MW499.63 g/mol
LogP5.89
Rot. Bonds4

About 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90096034) has the molecular formula C30H34FN5O and a molecular weight of 499.63 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90096034
Molecular FormulaC30H34FN5O
Molecular Weight499.63 g/mol
Exact Mass499.27
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC(C)(C)N(C)C(C)(C)C4)c3c2)ccc1F
InChIInChI=1S/C30H34FN5O/c1-19-14-21(9-10-25(19)31)27-23(8-7-12-32-27)20-11-13-36-26(15-20)24(18-33-36)28(37)34-22-16-29(2,3)35(6)30(4,5)17-22/h7-15,18,22H,16-17H2,1-6H3,(H,34,37)
InChIKeyZNBVNDJRXGLZHW-UHFFFAOYSA-N
XLogP5.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90096034) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC(C)(C)N(C)C(C)(C)C4)c3c2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZNBVNDJRXGLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O/c1-19-14-21(9-10-25(19)31)27-23(8-7-12-32-27)20-11-13-36-26(15-20)24(18-33-36)28(37)34-22-16-29(2,3)35(6)30(4,5)17-22/h7-15,18,22H,16-17H2,1-6H3,(H,34,37).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 499.63 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90096034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).