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

C25H28F4N8O2 — CID 146424772

IUPACN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(CC(F)F)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C25H28F4N8O2/c1-15(38)34-7-5-17(6-8-34)35-11-18(12-35)37-13-21(23(33-37)24(28)29)32-25(39)20-4-2-3-19(31-20)16-9-30-36(10-16)14-22(26)27/h2-4,9-10,13,17-18,22,24H,5-8,11-12,14H2,1H3,(H,32,39)
InChIKeyHKIBBWVQNVOTBD-UHFFFAOYSA-N
MW548.55 g/mol
LogP3.46
Rot. Bonds8

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

N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 146424772) has the molecular formula C25H28F4N8O2 and a molecular weight of 548.55 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)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-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID146424772
Molecular FormulaC25H28F4N8O2
Molecular Weight548.55 g/mol
Exact Mass548.23
IUPAC NameN-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(CC(F)F)c5)n4)c(C(F)F)n3)C2)CC1
InChIInChI=1S/C25H28F4N8O2/c1-15(38)34-7-5-17(6-8-34)35-11-18(12-35)37-13-21(23(33-37)24(28)29)32-25(39)20-4-2-3-19(31-20)16-9-30-36(10-16)14-22(26)27/h2-4,9-10,13,17-18,22,24H,5-8,11-12,14H2,1H3,(H,32,39)
InChIKeyHKIBBWVQNVOTBD-UHFFFAOYSA-N
XLogP3.46
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.55
LogP ≤ 53.46
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-(2,2-difluoroethyl)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-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 146424772) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)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-[1-(2,2-difluoroethyl)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-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(CC(F)F)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-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is HKIBBWVQNVOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4N8O2/c1-15(38)34-7-5-17(6-8-34)35-11-18(12-35)37-13-21(23(33-37)24(28)29)32-25(39)20-4-2-3-19(31-20)16-9-30-36(10-16)14-22(26)27/h2-4,9-10,13,17-18,22,24H,5-8,11-12,14H2,1H3,(H,32,39).
What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 548.55 g/mol, XLogP of 3.46, 8 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-(2,2-difluoroethyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 146424772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).