(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol

C21H22N6O — CID 157232588

IUPAC(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
SMILESCc1ccccc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1
InChIInChI=1S/C21H22N6O/c1-12-6-4-5-7-15(12)17-8-14-9-19(23-11-16(14)21(22)24-17)25-20-10-18(13(2)28)27(3)26-20/h4-11,13,28H,1-3H3,(H2,22,24)(H,23,25,26)/t13-/m1/s1
InChIKeyNKYMWGSPZWILGN-CYBMUJFWSA-N
MW374.45 g/mol
LogP3.72
Rot. Bonds4

About (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol

(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol (PubChem CID 157232588) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
PubChem CID157232588
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol
SMILESCc1ccccc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1
InChIInChI=1S/C21H22N6O/c1-12-6-4-5-7-15(12)17-8-14-9-19(23-11-16(14)21(22)24-17)25-20-10-18(13(2)28)27(3)26-20/h4-11,13,28H,1-3H3,(H2,22,24)(H,23,25,26)/t13-/m1/s1
InChIKeyNKYMWGSPZWILGN-CYBMUJFWSA-N
XLogP3.72
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The IUPAC name of (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol (CID 157232588) is (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol.
What is the SMILES notation for (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The canonical SMILES for (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol is Cc1ccccc1-c1cc2cc(Nc3cc([C@@H](C)O)n(C)n3)ncc2c(N)n1.
What is the InChIKey of (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
The InChIKey is NKYMWGSPZWILGN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22N6O/c1-12-6-4-5-7-15(12)17-8-14-9-19(23-11-16(14)21(22)24-17)25-20-10-18(13(2)28)27(3)26-20/h4-11,13,28H,1-3H3,(H2,22,24)(H,23,25,26)/t13-/m1/s1.
What are the key properties of (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol?
(1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol has a molecular weight of 374.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]-1-methylpyrazol-5-yl]ethanol is sourced from PubChem (CID 157232588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).