(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol

C20H21N7O — CID 139468791

IUPAC(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H](C)CO)c3)ncc2c(N)n1
InChIInChI=1S/C20H21N7O/c1-12-3-4-22-8-16(12)18-5-14-6-19(23-9-17(14)20(21)26-18)25-15-7-24-27(10-15)13(2)11-28/h3-10,13,28H,11H2,1-2H3,(H2,21,26)(H,23,25)/t13-/m0/s1
InChIKeyGJMWANQGFGNJEQ-ZDUSSCGKSA-N
MW375.44 g/mol
LogP3.08
Rot. Bonds5

About (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol

(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol (PubChem CID 139468791) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol
PubChem CID139468791
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol
SMILESCc1ccncc1-c1cc2cc(Nc3cnn([C@@H](C)CO)c3)ncc2c(N)n1
InChIInChI=1S/C20H21N7O/c1-12-3-4-22-8-16(12)18-5-14-6-19(23-9-17(14)20(21)26-18)25-15-7-24-27(10-15)13(2)11-28/h3-10,13,28H,11H2,1-2H3,(H2,21,26)(H,23,25)/t13-/m0/s1
InChIKeyGJMWANQGFGNJEQ-ZDUSSCGKSA-N
XLogP3.08
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol 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 (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol (CID 139468791) is (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol is Cc1ccncc1-c1cc2cc(Nc3cnn([C@@H](C)CO)c3)ncc2c(N)n1.
What is the InChIKey of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?
The InChIKey is GJMWANQGFGNJEQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-3-4-22-8-16(12)18-5-14-6-19(23-9-17(14)20(21)26-18)25-15-7-24-27(10-15)13(2)11-28/h3-10,13,28H,11H2,1-2H3,(H2,21,26)(H,23,25)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol?
(2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol has a molecular weight of 375.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 139468791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).