(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

C21H17ClN8O — CID 118216514

IUPAC(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESCn1nccc1Nc1nccc(-c2ccn3c([C@H](O)c4cccc(Cl)c4)nnc3c2)n1
InChIInChI=1S/C21H17ClN8O/c1-29-17(6-9-24-29)26-21-23-8-5-16(25-21)13-7-10-30-18(12-13)27-28-20(30)19(31)14-3-2-4-15(22)11-14/h2-12,19,31H,1H3,(H,23,25,26)/t19-/m1/s1
InChIKeyWTJLRBQGYNOTNH-LJQANCHMSA-N
MW432.88 g/mol
LogP3.40
Rot. Bonds5

About (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol

(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (PubChem CID 118216514) has the molecular formula C21H17ClN8O and a molecular weight of 432.88 g/mol. Its IUPAC name is (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
PubChem CID118216514
Molecular FormulaC21H17ClN8O
Molecular Weight432.88 g/mol
Exact Mass432.12
IUPAC Name(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
SMILESCn1nccc1Nc1nccc(-c2ccn3c([C@H](O)c4cccc(Cl)c4)nnc3c2)n1
InChIInChI=1S/C21H17ClN8O/c1-29-17(6-9-24-29)26-21-23-8-5-16(25-21)13-7-10-30-18(12-13)27-28-20(30)19(31)14-3-2-4-15(22)11-14/h2-12,19,31H,1H3,(H,23,25,26)/t19-/m1/s1
InChIKeyWTJLRBQGYNOTNH-LJQANCHMSA-N
XLogP3.40
TPSA106.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol 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 (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The IUPAC name of (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol (CID 118216514) is (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol.
What is the SMILES notation for (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The canonical SMILES for (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is Cn1nccc1Nc1nccc(-c2ccn3c([C@H](O)c4cccc(Cl)c4)nnc3c2)n1.
What is the InChIKey of (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
The InChIKey is WTJLRBQGYNOTNH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17ClN8O/c1-29-17(6-9-24-29)26-21-23-8-5-16(25-21)13-7-10-30-18(12-13)27-28-20(30)19(31)14-3-2-4-15(22)11-14/h2-12,19,31H,1H3,(H,23,25,26)/t19-/m1/s1.
What are the key properties of (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol?
(R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol has a molecular weight of 432.88 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chlorophenyl)-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol is sourced from PubChem (CID 118216514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).