5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C30H28F2N4O3 — CID 59233735

IUPAC5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C5CC5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C30H28F2N4O3/c1-16-14-23(39-3)22(28(37)34-30(11-12-30)18-6-7-18)15-21(16)20-10-13-36-27(25(20)32)24(29(38)33-2)26(35-36)17-4-8-19(31)9-5-17/h4-5,8-10,13-15,18H,6-7,11-12H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyWXKUXIOUHYOLCU-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.30
Rot. Bonds7

About 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 59233735) has the molecular formula C30H28F2N4O3 and a molecular weight of 530.58 g/mol. Its IUPAC name is 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID59233735
Molecular FormulaC30H28F2N4O3
Molecular Weight530.58 g/mol
Exact Mass530.21
IUPAC Name5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)NC4(C5CC5)CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C30H28F2N4O3/c1-16-14-23(39-3)22(28(37)34-30(11-12-30)18-6-7-18)15-21(16)20-10-13-36-27(25(20)32)24(29(38)33-2)26(35-36)17-4-8-19(31)9-5-17/h4-5,8-10,13-15,18H,6-7,11-12H2,1-3H3,(H,33,38)(H,34,37)
InChIKeyWXKUXIOUHYOLCU-UHFFFAOYSA-N
XLogP5.30
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 59233735) is 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-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(C5CC5)CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is WXKUXIOUHYOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N4O3/c1-16-14-23(39-3)22(28(37)34-30(11-12-30)18-6-7-18)15-21(16)20-10-13-36-27(25(20)32)24(29(38)33-2)26(35-36)17-4-8-19(31)9-5-17/h4-5,8-10,13-15,18H,6-7,11-12H2,1-3H3,(H,33,38)(H,34,37).
What are the key properties of 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 530.58 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1-cyclopropylcyclopropyl)carbamoyl]-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 59233735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).