N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

C29H35ClN8O — CID 121272274

IUPACN-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCN(CCCn2ncc3ccc(-c4cc(Nc5ccc(Cl)cc5)nc(N5CCOCC5)n4)cc32)CC1
InChIInChI=1S/C29H35ClN8O/c1-35-11-13-36(14-12-35)9-2-10-38-27-19-22(3-4-23(27)21-31-38)26-20-28(32-25-7-5-24(30)6-8-25)34-29(33-26)37-15-17-39-18-16-37/h3-8,19-21H,2,9-18H2,1H3,(H,32,33,34)
InChIKeyJYIUROFCJXKIGA-UHFFFAOYSA-N
MW547.11 g/mol
LogP4.36
Rot. Bonds8

About N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine

N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272274) has the molecular formula C29H35ClN8O and a molecular weight of 547.11 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272274
Molecular FormulaC29H35ClN8O
Molecular Weight547.11 g/mol
Exact Mass546.26
IUPAC NameN-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCN1CCN(CCCn2ncc3ccc(-c4cc(Nc5ccc(Cl)cc5)nc(N5CCOCC5)n4)cc32)CC1
InChIInChI=1S/C29H35ClN8O/c1-35-11-13-36(14-12-35)9-2-10-38-27-19-22(3-4-23(27)21-31-38)26-20-28(32-25-7-5-24(30)6-8-25)34-29(33-26)37-15-17-39-18-16-37/h3-8,19-21H,2,9-18H2,1H3,(H,32,33,34)
InChIKeyJYIUROFCJXKIGA-UHFFFAOYSA-N
XLogP4.36
TPSA74.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.11
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]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

Related Compounds

6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[(2S)-2-methyl-1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 156305037
Pyrazolo pyrimidine, 5n
CID 44520818
Pyrazolo pyrimidine, 5q
CID 44520821
6-chloro-N-(1-cyclopropyl-5-methylpyrazol-4-yl)-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-amine
CID 166632036
4-[5-chloro-2-(4-fluorophenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 10141356
N-(2-chloro-6-methylphenyl)-1-(6-(5-(2-morpholinoethyl)pyridin-2-ylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-amine
CID 15949887
4-N-[1-[(3-chlorophenyl)methyl]indazol-5-yl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747311
N-[1-(3-Fluoro-benzyl)-1H-indazol-5-yl]-5-[morpholin-4-yliminomethyl]-pyrimidine-4,6-diamine
CID 24897277
N-(2-chloro-6-methylphenyl)-1-(6-(4-(morpholinomethyl)pyridin-2-ylamino)pyrimidin-4-yl)-1H-benzo[d]imidazol-2-amine
CID 25110690
4-[2-(3-chlorophenyl)-7-morpholin-4-ylpyrazolo[1,5-c]pyrimidin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 45484944
N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-4-yl)-N4-methylpyrimidine-2,4-diamine
CID 49831162
N2-(3,5-dimorpholinophenyl)-N4-(1H-indazol-7-yl)pyrimidine-2,4-diamine
CID 52940902

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272274) is N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is CN1CCN(CCCn2ncc3ccc(-c4cc(Nc5ccc(Cl)cc5)nc(N5CCOCC5)n4)cc32)CC1.
What is the InChIKey of N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is JYIUROFCJXKIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN8O/c1-35-11-13-36(14-12-35)9-2-10-38-27-19-22(3-4-23(27)21-31-38)26-20-28(32-25-7-5-24(30)6-8-25)34-29(33-26)37-15-17-39-18-16-37/h3-8,19-21H,2,9-18H2,1H3,(H,32,33,34).
What are the key properties of N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine?
N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 547.11 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-[1-[3-(4-methylpiperazin-1-yl)propyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).