N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C24H19F3N6O2 — CID 146282513

IUPACN-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C24H19F3N6O2/c25-17-5-1-2-7-20(17)33-21(14-11-15(12-14)30-23(34)19-6-3-4-10-28-19)31-32-22(33)18-9-8-16(13-29-18)35-24(26)27/h1-10,13-15,24H,11-12H2,(H,30,34)
InChIKeyNFZIFTVDVOZOII-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.14
Rot. Bonds7

About N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282513) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282513
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC NameN-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C24H19F3N6O2/c25-17-5-1-2-7-20(17)33-21(14-11-15(12-14)30-23(34)19-6-3-4-10-28-19)31-32-22(33)18-9-8-16(13-29-18)35-24(26)27/h1-10,13-15,24H,11-12H2,(H,30,34)
InChIKeyNFZIFTVDVOZOII-UHFFFAOYSA-N
XLogP4.14
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282513) is N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3ccc(OC(F)F)cn3)n2-c2ccccc2F)C1)c1ccccn1.
What is the InChIKey of N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is NFZIFTVDVOZOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-17-5-1-2-7-20(17)33-21(14-11-15(12-14)30-23(34)19-6-3-4-10-28-19)31-32-22(33)18-9-8-16(13-29-18)35-24(26)27/h1-10,13-15,24H,11-12H2,(H,30,34).
What are the key properties of N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 480.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[5-(difluoromethoxy)-2-pyridinyl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).