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

C30H28F2N4O3 — CID 67217776

IUPAC5-[5-(dicyclopropylcarbamoyl)-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)N(C4CC4)C4CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C30H28F2N4O3/c1-16-14-24(39-3)23(30(38)36(19-8-9-19)20-10-11-20)15-22(16)21-12-13-35-28(26(21)32)25(29(37)33-2)27(34-35)17-4-6-18(31)7-5-17/h4-7,12-15,19-20H,8-11H2,1-3H3,(H,33,37)
InChIKeyHMZRMPCFIMBUOJ-UHFFFAOYSA-N
MW530.58 g/mol
LogP5.39
Rot. Bonds7

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

5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 67217776) has the molecular formula C30H28F2N4O3 and a molecular weight of 530.58 g/mol. Its IUPAC name is 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID67217776
Molecular FormulaC30H28F2N4O3
Molecular Weight530.58 g/mol
Exact Mass530.21
IUPAC Name5-[5-(dicyclopropylcarbamoyl)-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)N(C4CC4)C4CC4)c(OC)cc3C)c(F)c12
InChIInChI=1S/C30H28F2N4O3/c1-16-14-24(39-3)23(30(38)36(19-8-9-19)20-10-11-20)15-22(16)21-12-13-35-28(26(21)32)25(29(37)33-2)27(34-35)17-4-6-18(31)7-5-17/h4-7,12-15,19-20H,8-11H2,1-3H3,(H,33,37)
InChIKeyHMZRMPCFIMBUOJ-UHFFFAOYSA-N
XLogP5.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 67217776) is 5-[5-(dicyclopropylcarbamoyl)-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-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-(dicyclopropylcarbamoyl)-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)N(C4CC4)C4CC4)c(OC)cc3C)c(F)c12.
What is the InChIKey of 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is HMZRMPCFIMBUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N4O3/c1-16-14-24(39-3)23(30(38)36(19-8-9-19)20-10-11-20)15-22(16)21-12-13-35-28(26(21)32)25(29(37)33-2)27(34-35)17-4-6-18(31)7-5-17/h4-7,12-15,19-20H,8-11H2,1-3H3,(H,33,37).
What are the key properties of 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
5-[5-(dicyclopropylcarbamoyl)-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 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dicyclopropylcarbamoyl)-4-methoxy-2-methylphenyl]-4-fluoro-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 67217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).