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

C23H26F2N8O2 — CID 146424780

IUPACN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cn[nH]c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C23H26F2N8O2/c1-14(34)31-7-5-16(6-8-31)32-11-17(12-32)33-13-20(21(30-33)22(24)25)29-23(35)19-4-2-3-18(28-19)15-9-26-27-10-15/h2-4,9-10,13,16-17,22H,5-8,11-12H2,1H3,(H,26,27)(H,29,35)
InChIKeyFQRLWPIKQNEWRA-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.73
Rot. Bonds6

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

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 146424780) has the molecular formula C23H26F2N8O2 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID146424780
Molecular FormulaC23H26F2N8O2
Molecular Weight484.51 g/mol
Exact Mass484.21
IUPAC NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cn[nH]c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C23H26F2N8O2/c1-14(34)31-7-5-16(6-8-31)32-11-17(12-32)33-13-20(21(30-33)22(24)25)29-23(35)19-4-2-3-18(28-19)15-9-26-27-10-15/h2-4,9-10,13,16-17,22H,5-8,11-12H2,1H3,(H,26,27)(H,29,35)
InChIKeyFQRLWPIKQNEWRA-UHFFFAOYSA-N
XLogP2.73
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(1H-pyrazol-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-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 146424780) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-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-(1H-pyrazol-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-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cn[nH]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-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is FQRLWPIKQNEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N8O2/c1-14(34)31-7-5-16(6-8-31)32-11-17(12-32)33-13-20(21(30-33)22(24)25)29-23(35)19-4-2-3-18(28-19)15-9-26-27-10-15/h2-4,9-10,13,16-17,22H,5-8,11-12H2,1H3,(H,26,27)(H,29,35).
What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146424780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).