(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C21H22ClN7O — CID 130245465

IUPAC(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cnc(Cl)n3C)c12
InChIInChI=1S/C21H22ClN7O/c1-12-9-23-19(15-4-5-25-27-15)20-18(12)14(16-10-24-21(22)28(16)3)8-17(26-20)29-6-7-30-11-13(29)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyVMANOFJCAXUHCN-CYBMUJFWSA-N
MW423.91 g/mol
LogP3.61
Rot. Bonds3

About (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130245465) has the molecular formula C21H22ClN7O and a molecular weight of 423.91 g/mol. Its IUPAC name is (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130245465
Molecular FormulaC21H22ClN7O
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC Name(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cnc(Cl)n3C)c12
InChIInChI=1S/C21H22ClN7O/c1-12-9-23-19(15-4-5-25-27-15)20-18(12)14(16-10-24-21(22)28(16)3)8-17(26-20)29-6-7-30-11-13(29)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,25,27)/t13-/m1/s1
InChIKeyVMANOFJCAXUHCN-CYBMUJFWSA-N
XLogP3.61
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine 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 (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130245465) is (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cnc(Cl)n3C)c12.
What is the InChIKey of (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is VMANOFJCAXUHCN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H22ClN7O/c1-12-9-23-19(15-4-5-25-27-15)20-18(12)14(16-10-24-21(22)28(16)3)8-17(26-20)29-6-7-30-11-13(29)2/h4-5,8-10,13H,6-7,11H2,1-3H3,(H,25,27)/t13-/m1/s1.
What are the key properties of (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 423.91 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2-chloro-3-methylimidazol-4-yl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130245465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).