(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide

C19H25FN4O — CID 145307264

IUPAC(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCC1(C)C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C19H25FN4O/c1-13(23-18(25)16-6-4-5-9-19(16,2)3)14-7-8-17(21-10-14)24-12-15(20)11-22-24/h7-8,10-13,16H,4-6,9H2,1-3H3,(H,23,25)/t13?,16-/m0/s1
InChIKeyPUTBYWKQBGQPGN-VYIIXAMBSA-N
MW344.43 g/mol
LogP3.80
Rot. Bonds4

About (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide

(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 145307264) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID145307264
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(NC(=O)[C@@H]1CCCCC1(C)C)c1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C19H25FN4O/c1-13(23-18(25)16-6-4-5-9-19(16,2)3)14-7-8-17(21-10-14)24-12-15(20)11-22-24/h7-8,10-13,16H,4-6,9H2,1-3H3,(H,23,25)/t13?,16-/m0/s1
InChIKeyPUTBYWKQBGQPGN-VYIIXAMBSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 145307263
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]cyclohexanecarboxamide
CID 142475463
tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
CID 146398960
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]cyclobutane-1-carboxamide
CID 130433094
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 142278894
cis-(1S,3S)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]cyclopentane-1-carboxamide
CID 134216899
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-4-hydroxy-4-[4-methyl-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]cyclohexane-1-carboxamide
CID 154827276
N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
3-[(2-chloroacetyl)amino]-3-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethylcarbamoyl]azetidine-1-carboxylic acid
CID 175040696
cis-(1S,3S)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methyl-3-[6-methyl-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]cyclopentane-1-carboxamide
CID 134208574
(2S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2-methyl-1-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]azetidine-3-carboxamide
CID 134193281
cis-(1S,3R)-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-3-[4-[(1-hydrazinyl-3-methylbut-2-enylidene)amino]-6-methylpyrimidin-2-yl]cyclopentane-1-carboxamide
CID 134216897

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide (CID 145307264) is (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide is CC(NC(=O)[C@@H]1CCCCC1(C)C)c1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is PUTBYWKQBGQPGN-VYIIXAMBSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13(23-18(25)16-6-4-5-9-19(16,2)3)14-7-8-17(21-10-14)24-12-15(20)11-22-24/h7-8,10-13,16H,4-6,9H2,1-3H3,(H,23,25)/t13?,16-/m0/s1.
What are the key properties of (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide?
(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 145307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).