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

C28H30FN5O — CID 90094535

IUPAC5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CCN(C(C)C)CC4)c3c2)ccc1F
InChIInChI=1S/C28H30FN5O/c1-18(2)33-12-9-22(10-13-33)32-28(35)24-17-31-34-14-8-20(16-26(24)34)23-5-4-11-30-27(23)21-6-7-25(29)19(3)15-21/h4-8,11,14-18,22H,9-10,12-13H2,1-3H3,(H,32,35)
InChIKeyDDNMTLFUOOHNDU-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.11
Rot. Bonds5

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

5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 90094535) has the molecular formula C28H30FN5O and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID90094535
Molecular FormulaC28H30FN5O
Molecular Weight471.58 g/mol
Exact Mass471.24
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CCN(C(C)C)CC4)c3c2)ccc1F
InChIInChI=1S/C28H30FN5O/c1-18(2)33-12-9-22(10-13-33)32-28(35)24-17-31-34-14-8-20(16-26(24)34)23-5-4-11-30-27(23)21-6-7-25(29)19(3)15-21/h4-8,11,14-18,22H,9-10,12-13H2,1-3H3,(H,32,35)
InChIKeyDDNMTLFUOOHNDU-UHFFFAOYSA-N
XLogP5.11
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.11
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-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 90094535) is 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CCN(C(C)C)CC4)c3c2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is DDNMTLFUOOHNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O/c1-18(2)33-12-9-22(10-13-33)32-28(35)24-17-31-34-14-8-20(16-26(24)34)23-5-4-11-30-27(23)21-6-7-25(29)19(3)15-21/h4-8,11,14-18,22H,9-10,12-13H2,1-3H3,(H,32,35).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.11, 5 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-propan-2-ylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).