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

C30H22F3N5O2 — CID 59233837

IUPAC4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccn5)CC4)c3)c(F)c12
InChIInChI=1S/C30H22F3N5O2/c1-34-29(40)24-26(17-5-7-20(31)8-6-17)37-38-13-9-22(25(33)27(24)38)18-14-19(16-21(32)15-18)28(39)36-30(10-11-30)23-4-2-3-12-35-23/h2-9,12-16H,10-11H2,1H3,(H,34,40)(H,36,39)
InChIKeyHWOBCWNSZKSRRB-UHFFFAOYSA-N
MW541.53 g/mol
LogP5.26
Rot. Bonds6

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

4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233837) has the molecular formula C30H22F3N5O2 and a molecular weight of 541.53 g/mol. Its IUPAC name is 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233837
Molecular FormulaC30H22F3N5O2
Molecular Weight541.53 g/mol
Exact Mass541.17
IUPAC Name4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccn5)CC4)c3)c(F)c12
InChIInChI=1S/C30H22F3N5O2/c1-34-29(40)24-26(17-5-7-20(31)8-6-17)37-38-13-9-22(25(33)27(24)38)18-14-19(16-21(32)15-18)28(39)36-30(10-11-30)23-4-2-3-12-35-23/h2-9,12-16H,10-11H2,1H3,(H,34,40)(H,36,39)
InChIKeyHWOBCWNSZKSRRB-UHFFFAOYSA-N
XLogP5.26
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233837) is 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(F)cc(C(=O)NC4(c5ccccn5)CC4)c3)c(F)c12.
What is the InChIKey of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HWOBCWNSZKSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F3N5O2/c1-34-29(40)24-26(17-5-7-20(31)8-6-17)37-38-13-9-22(25(33)27(24)38)18-14-19(16-21(32)15-18)28(39)36-30(10-11-30)23-4-2-3-12-35-23/h2-9,12-16H,10-11H2,1H3,(H,34,40)(H,36,39).
What are the key properties of 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 541.53 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-fluorophenyl)-5-[3-fluoro-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).