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

C23H21Cl2N5O — CID 130228765

IUPAC(3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C23H21Cl2N5O/c1-13-11-26-22(19-5-6-27-29-19)23-21(13)17(16-4-3-15(24)9-18(16)25)10-20(28-23)30-7-8-31-12-14(30)2/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,27,29)/t14-/m1/s1
InChIKeyFNUCQSOPJSQQDJ-CQSZACIVSA-N
MW454.36 g/mol
LogP5.53
Rot. Bonds3

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

(3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 130228765) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID130228765
Molecular FormulaC23H21Cl2N5O
Molecular Weight454.36 g/mol
Exact Mass453.11
IUPAC Name(3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3ccc(Cl)cc3Cl)c12
InChIInChI=1S/C23H21Cl2N5O/c1-13-11-26-22(19-5-6-27-29-19)23-21(13)17(16-4-3-15(24)9-18(16)25)10-20(28-23)30-7-8-31-12-14(30)2/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,27,29)/t14-/m1/s1
InChIKeyFNUCQSOPJSQQDJ-CQSZACIVSA-N
XLogP5.53
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[4-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 130228765) is (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-(2,4-dichlorophenyl)-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(-c3ccc(Cl)cc3Cl)c12.
What is the InChIKey of (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is FNUCQSOPJSQQDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c1-13-11-26-22(19-5-6-27-29-19)23-21(13)17(16-4-3-15(24)9-18(16)25)10-20(28-23)30-7-8-31-12-14(30)2/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,27,29)/t14-/m1/s1.
What are the key properties of (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 454.36 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(2,4-dichlorophenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 130228765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).