(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol

C19H18FN7O — CID 166164074

IUPAC(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@@H](CO)c4ccccc4F)n3)cn12
InChIInChI=1S/C19H18FN7O/c1-11-22-8-13-7-6-12(9-27(11)13)17-24-18(21)26-19(25-17)23-16(10-28)14-4-2-3-5-15(14)20/h2-9,16,28H,10H2,1H3,(H3,21,23,24,25,26)/t16-/m0/s1
InChIKeyYVUSBLAPHGBQIV-INIZCTEOSA-N
MW379.40 g/mol
LogP2.36
Rot. Bonds5

About (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol

(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol (PubChem CID 166164074) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
PubChem CID166164074
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol
SMILESCc1ncc2ccc(-c3nc(N)nc(N[C@@H](CO)c4ccccc4F)n3)cn12
InChIInChI=1S/C19H18FN7O/c1-11-22-8-13-7-6-12(9-27(11)13)17-24-18(21)26-19(25-17)23-16(10-28)14-4-2-3-5-15(14)20/h2-9,16,28H,10H2,1H3,(H3,21,23,24,25,26)/t16-/m0/s1
InChIKeyYVUSBLAPHGBQIV-INIZCTEOSA-N
XLogP2.36
TPSA114.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol with MolForge

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Related Compounds

6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1S)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184764
6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[1-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 166163848
4-N-methyl-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[(1R)-2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184769
2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-2-(2-fluorophenyl)ethanol
CID 144516553
6-(1-fluoro-3-methylimidazo[1,5-a]pyridin-6-yl)-2-N-[2-methyl-1-[2-(trifluoromethyl)-1H-imidazol-5-yl]propyl]-1,3,5-triazine-2,4-diamine
CID 178184768
2-[[5-chloro-2-[(4-hydroxy-3-methylpyrazin-1-yl)amino]pyrimidin-4-yl]amino]-2-(2-fluorophenyl)ethanol
CID 140645823
N-[2-[[2-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)pyrimidin-4-yl]amino]-1-(2,3-dichlorophenyl)ethyl]acetamide
CID 171803207
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
(2S)-2-[[3-chloro-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-yl]amino]-2-(2-fluorophenyl)ethanol
CID 170438220
6-(3-aminoimidazo[1,5-a]pyridin-6-yl)-2-N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 171803200
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
2-N-[2-[1-(difluoromethyl)pyrazol-3-yl]propan-2-yl]-6-(3-methylimidazo[1,5-a]pyrazin-6-yl)-1,3,5-triazine-2,4-diamine
CID 171803205

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol?
The IUPAC name of (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol (CID 166164074) is (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol?
The canonical SMILES for (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol is Cc1ncc2ccc(-c3nc(N)nc(N[C@@H](CO)c4ccccc4F)n3)cn12.
What is the InChIKey of (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol?
The InChIKey is YVUSBLAPHGBQIV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-11-22-8-13-7-6-12(9-27(11)13)17-24-18(21)26-19(25-17)23-16(10-28)14-4-2-3-5-15(14)20/h2-9,16,28H,10H2,1H3,(H3,21,23,24,25,26)/t16-/m0/s1.
What are the key properties of (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol?
(2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol has a molecular weight of 379.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-amino-6-(3-methylimidazo[1,5-a]pyridin-6-yl)-1,3,5-triazin-2-yl]amino]-2-(2-fluorophenyl)ethanol is sourced from PubChem (CID 166164074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).