2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide

C19H19F6N5O2 — CID 166528850

IUPAC2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cc(C(N)=O)c(F)cn2)c1C(F)(F)F
InChIInChI=1S/C19H19F6N5O2/c1-9-14(19(23,24)25)15(30(29-9)8-10-2-4-18(21,22)5-3-10)17(32)28-13-6-11(16(26)31)12(20)7-27-13/h6-7,10H,2-5,8H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyPRFMVDMBPPZIDH-UHFFFAOYSA-N
MW463.38 g/mol
LogP3.92
Rot. Bonds5

About 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide

2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide (PubChem CID 166528850) has the molecular formula C19H19F6N5O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide
PubChem CID166528850
Molecular FormulaC19H19F6N5O2
Molecular Weight463.38 g/mol
Exact Mass463.14
IUPAC Name2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide
SMILESCc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cc(C(N)=O)c(F)cn2)c1C(F)(F)F
InChIInChI=1S/C19H19F6N5O2/c1-9-14(19(23,24)25)15(30(29-9)8-10-2-4-18(21,22)5-3-10)17(32)28-13-6-11(16(26)31)12(20)7-27-13/h6-7,10H,2-5,8H2,1H3,(H2,26,31)(H,27,28,32)
InChIKeyPRFMVDMBPPZIDH-UHFFFAOYSA-N
XLogP3.92
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide?
The IUPAC name of 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide (CID 166528850) is 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide is Cc1nn(CC2CCC(F)(F)CC2)c(C(=O)Nc2cc(C(N)=O)c(F)cn2)c1C(F)(F)F.
What is the InChIKey of 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide?
The InChIKey is PRFMVDMBPPZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N5O2/c1-9-14(19(23,24)25)15(30(29-9)8-10-2-4-18(21,22)5-3-10)17(32)28-13-6-11(16(26)31)12(20)7-27-13/h6-7,10H,2-5,8H2,1H3,(H2,26,31)(H,27,28,32).
What are the key properties of 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide?
2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-4-(trifluoromethyl)pyrazole-5-carbonyl]amino]-5-fluoropyridine-4-carboxamide is sourced from PubChem (CID 166528850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).