N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

C24H28F2N8O2 — CID 146437629

IUPACN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C24H28F2N8O2/c1-15(35)32-8-6-17(7-9-32)33-12-18(13-33)34-14-21(22(30-34)23(25)26)29-24(36)20-5-3-4-19(28-20)16-10-27-31(2)11-16/h3-5,10-11,14,17-18,23H,6-9,12-13H2,1-2H3,(H,29,36)
InChIKeyKVQCIKQYPIYCEV-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.74
Rot. Bonds6

About N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 146437629) has the molecular formula C24H28F2N8O2 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID146437629
Molecular FormulaC24H28F2N8O2
Molecular Weight498.54 g/mol
Exact Mass498.23
IUPAC NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C24H28F2N8O2/c1-15(35)32-8-6-17(7-9-32)33-12-18(13-33)34-14-21(22(30-34)23(25)26)29-24(36)20-5-3-4-19(28-20)16-10-27-31(2)11-16/h3-5,10-11,14,17-18,23H,6-9,12-13H2,1-2H3,(H,29,36)
InChIKeyKVQCIKQYPIYCEV-UHFFFAOYSA-N
XLogP2.74
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide (CID 146437629) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C)c5)n4)c(C(F)F)n3)C2)CC1.
What is the InChIKey of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is KVQCIKQYPIYCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N8O2/c1-15(35)32-8-6-17(7-9-32)33-12-18(13-33)34-14-21(22(30-34)23(25)26)29-24(36)20-5-3-4-19(28-20)16-10-27-31(2)11-16/h3-5,10-11,14,17-18,23H,6-9,12-13H2,1-2H3,(H,29,36).
What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide?
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146437629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).