5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C31H24F4N6O3 — CID 46842545

IUPAC5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC(F)F)nc3C)c(F)c12
InChIInChI=1S/C31H24F4N6O3/c1-16-20(15-21(29(38-16)44-30(34)35)27(42)39-31(11-12-31)22-5-3-4-13-37-22)19-10-14-41-26(24(19)33)23(28(43)36-2)25(40-41)17-6-8-18(32)9-7-17/h3-10,13-15,30H,11-12H2,1-2H3,(H,36,43)(H,39,42)
InChIKeyOQQTYEPPNNFNHU-UHFFFAOYSA-N
MW604.56 g/mol
LogP5.43
Rot. Bonds8

About 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 46842545) has the molecular formula C31H24F4N6O3 and a molecular weight of 604.56 g/mol. Its IUPAC name is 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID46842545
Molecular FormulaC31H24F4N6O3
Molecular Weight604.56 g/mol
Exact Mass604.18
IUPAC Name5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC(F)F)nc3C)c(F)c12
InChIInChI=1S/C31H24F4N6O3/c1-16-20(15-21(29(38-16)44-30(34)35)27(42)39-31(11-12-31)22-5-3-4-13-37-22)19-10-14-41-26(24(19)33)23(28(43)36-2)25(40-41)17-6-8-18(32)9-7-17/h3-10,13-15,30H,11-12H2,1-2H3,(H,36,43)(H,39,42)
InChIKeyOQQTYEPPNNFNHU-UHFFFAOYSA-N
XLogP5.43
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.56
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 46842545) is 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(c5ccccn5)CC4)c(OC(F)F)nc3C)c(F)c12.
What is the InChIKey of 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is OQQTYEPPNNFNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F4N6O3/c1-16-20(15-21(29(38-16)44-30(34)35)27(42)39-31(11-12-31)22-5-3-4-13-37-22)19-10-14-41-26(24(19)33)23(28(43)36-2)25(40-41)17-6-8-18(32)9-7-17/h3-10,13-15,30H,11-12H2,1-2H3,(H,36,43)(H,39,42).
What are the key properties of 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 604.56 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(difluoromethoxy)-2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]-3-pyridinyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 46842545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).