6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide

C25H18F2N5OP — CID 143483780

IUPAC6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)P)nc1
InChIInChI=1S/C25H18F2N5OP/c26-25(27,34)22-13-21(18-6-3-11-28-14-18)31-32(22)23-10-8-19(15-29-23)24(33)30-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,34H2,(H,30,33)
InChIKeyUYWKKYZOQNURGX-UHFFFAOYSA-N
MW473.42 g/mol
LogP5.66
Rot. Bonds5

About 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide

6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide (PubChem CID 143483780) has the molecular formula C25H18F2N5OP and a molecular weight of 473.42 g/mol. Its IUPAC name is 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide
PubChem CID143483780
Molecular FormulaC25H18F2N5OP
Molecular Weight473.42 g/mol
Exact Mass473.12
IUPAC Name6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)P)nc1
InChIInChI=1S/C25H18F2N5OP/c26-25(27,34)22-13-21(18-6-3-11-28-14-18)31-32(22)23-10-8-19(15-29-23)24(33)30-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,34H2,(H,30,33)
InChIKeyUYWKKYZOQNURGX-UHFFFAOYSA-N
XLogP5.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-yl-6-[5-(naphthalen-2-ylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 170421565
CID 89354167
CID 89354167
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869
N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-2-carboxamide
CID 16873145
2-(2-hydroxyethylamino)-N-[4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-4-carboxamide
CID 10298748
ethane;4-[3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]phenyl]benzoic acid
CID 143484283
N-naphthalen-2-yl-4-pyridin-2-ylbenzamide
CID 59673032
N-naphthalen-2-yl-4-phenylbenzamide
CID 1228216
6-chloro-N-naphthalen-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25179905
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide (CID 143483780) is 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide is O=C(Nc1ccc2ccccc2c1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)P)nc1.
What is the InChIKey of 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide?
The InChIKey is UYWKKYZOQNURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N5OP/c26-25(27,34)22-13-21(18-6-3-11-28-14-18)31-32(22)23-10-8-19(15-29-23)24(33)30-20-9-7-16-4-1-2-5-17(16)12-20/h1-15H,34H2,(H,30,33).
What are the key properties of 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide?
6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide has a molecular weight of 473.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[difluoro(phosphanyl)methyl]-3-pyridin-3-ylpyrazol-1-yl]-N-naphthalen-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 143483780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).