[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

C23H21F3N6O — CID 67428206

IUPAC[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1c(C(=O)c2ncccc2-c2ncccn2)c(N)nc(C2CC3CC3CN2)c1C(F)(F)F
InChIInChI=1S/C23H21F3N6O/c1-11-16(20(33)18-14(4-2-5-28-18)22-29-6-3-7-30-22)21(27)32-19(17(11)23(24,25)26)15-9-12-8-13(12)10-31-15/h2-7,12-13,15,31H,8-10H2,1H3,(H2,27,32)
InChIKeyWBDAAJNGWJFQEZ-UHFFFAOYSA-N
MW454.46 g/mol
LogP3.74
Rot. Bonds4

About [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone

[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 67428206) has the molecular formula C23H21F3N6O and a molecular weight of 454.46 g/mol. Its IUPAC name is [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID67428206
Molecular FormulaC23H21F3N6O
Molecular Weight454.46 g/mol
Exact Mass454.17
IUPAC Name[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1c(C(=O)c2ncccc2-c2ncccn2)c(N)nc(C2CC3CC3CN2)c1C(F)(F)F
InChIInChI=1S/C23H21F3N6O/c1-11-16(20(33)18-14(4-2-5-28-18)22-29-6-3-7-30-22)21(27)32-19(17(11)23(24,25)26)15-9-12-8-13(12)10-31-15/h2-7,12-13,15,31H,8-10H2,1H3,(H2,27,32)
InChIKeyWBDAAJNGWJFQEZ-UHFFFAOYSA-N
XLogP3.74
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Related Compounds

6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760567
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclopropylcarbamoyl-pyridin-3-yl)-amide
CID 54760568
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclobutylcarbamoyl-pyridin-3-yl)-amide
CID 54760569
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3-oxo-piperazine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760570
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclopentylcarbamoyl-pyridin-3-yl)-amide
CID 54760758
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclohexylcarbamoyl-pyridin-3-yl)-amide
CID 58548318
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-difluoro-azetidine-1-carbonyl)-pyridin-3-yl]-amide
CID 70116466
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 68162802
3-amino-N-[4-(6-amino-2-methylpyrimidin-4-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 68187352

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 67428206) is [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1c(C(=O)c2ncccc2-c2ncccn2)c(N)nc(C2CC3CC3CN2)c1C(F)(F)F.
What is the InChIKey of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is WBDAAJNGWJFQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O/c1-11-16(20(33)18-14(4-2-5-28-18)22-29-6-3-7-30-22)21(27)32-19(17(11)23(24,25)26)15-9-12-8-13(12)10-31-15/h2-7,12-13,15,31H,8-10H2,1H3,(H2,27,32).
What are the key properties of [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone?
[2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 454.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(3-azabicyclo[4.1.0]heptan-4-yl)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-(3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 67428206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).