2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

C20H18F2N4O — CID 167889721

IUPAC2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1
InChIInChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27)
InChIKeyVQSYNSJTCNAAQE-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.20
Rot. Bonds4

About 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 167889721) has the molecular formula C20H18F2N4O and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
PubChem CID167889721
Molecular FormulaC20H18F2N4O
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1
InChIInChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27)
InChIKeyVQSYNSJTCNAAQE-UHFFFAOYSA-N
XLogP4.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (CID 167889721) is 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is VQSYNSJTCNAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O/c1-11-3-7-15(19(23-11)12-4-5-12)20(27)24-18-10-17(25-26(18)2)14-8-6-13(21)9-16(14)22/h3,6-10,12H,4-5H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 167889721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).