N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

C32H37N9O2 — CID 121272148

IUPACN-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccnc1-c1ccc(Nc2cc(-c3ccc4c(CCN5CCOCC5)nn(C)c4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C32H37N9O2/c1-38-12-10-33-31(38)23-3-6-25(7-4-23)34-30-22-28(35-32(36-30)41-15-19-43-20-16-41)24-5-8-26-27(37-39(2)29(26)21-24)9-11-40-13-17-42-18-14-40/h3-8,10,12,21-22H,9,11,13-20H2,1-2H3,(H,34,35,36)
InChIKeyJGSOPUWCCCXFLA-UHFFFAOYSA-N
MW579.71 g/mol
LogP3.89
Rot. Bonds8

About N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272148) has the molecular formula C32H37N9O2 and a molecular weight of 579.71 g/mol. Its IUPAC name is N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272148
Molecular FormulaC32H37N9O2
Molecular Weight579.71 g/mol
Exact Mass579.31
IUPAC NameN-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccnc1-c1ccc(Nc2cc(-c3ccc4c(CCN5CCOCC5)nn(C)c4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C32H37N9O2/c1-38-12-10-33-31(38)23-3-6-25(7-4-23)34-30-22-28(35-32(36-30)41-15-19-43-20-16-41)24-5-8-26-27(37-39(2)29(26)21-24)9-11-40-13-17-42-18-14-40/h3-8,10,12,21-22H,9,11,13-20H2,1-2H3,(H,34,35,36)
InChIKeyJGSOPUWCCCXFLA-UHFFFAOYSA-N
XLogP3.89
TPSA98.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.71
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine 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 N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272148) is N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is Cn1ccnc1-c1ccc(Nc2cc(-c3ccc4c(CCN5CCOCC5)nn(C)c4c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JGSOPUWCCCXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N9O2/c1-38-12-10-33-31(38)23-3-6-25(7-4-23)34-30-22-28(35-32(36-30)41-15-19-43-20-16-41)24-5-8-26-27(37-39(2)29(26)21-24)9-11-40-13-17-42-18-14-40/h3-8,10,12,21-22H,9,11,13-20H2,1-2H3,(H,34,35,36).
What are the key properties of N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 579.71 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylimidazol-2-yl)phenyl]-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).