2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol

C24H30ClN7O — CID 78153433

IUPAC2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(Cc1cn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)nc1C)C(C)CO
InChIInChI=1S/C24H30ClN7O/c1-6-31(15(2)14-33)12-18-13-32(29-16(18)3)22-9-10-26-24(28-22)27-19-7-8-21-20(11-19)23(25)17(4)30(21)5/h7-11,13,15,33H,6,12,14H2,1-5H3,(H,26,27,28)
InChIKeyQDCVIVPPSLVSOW-UHFFFAOYSA-N
MW468.01 g/mol
LogP4.37
Rot. Bonds8

About 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol

2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol (PubChem CID 78153433) has the molecular formula C24H30ClN7O and a molecular weight of 468.01 g/mol. Its IUPAC name is 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol
PubChem CID78153433
Molecular FormulaC24H30ClN7O
Molecular Weight468.01 g/mol
Exact Mass467.22
IUPAC Name2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol
SMILESCCN(Cc1cn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)nc1C)C(C)CO
InChIInChI=1S/C24H30ClN7O/c1-6-31(15(2)14-33)12-18-13-32(29-16(18)3)22-9-10-26-24(28-22)27-19-7-8-21-20(11-19)23(25)17(4)30(21)5/h7-11,13,15,33H,6,12,14H2,1-5H3,(H,26,27,28)
InChIKeyQDCVIVPPSLVSOW-UHFFFAOYSA-N
XLogP4.37
TPSA84.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.01
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol 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

1-[(1-{2-[(3-Chloro-1,2-Dimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698376
1-[(1-{2-[(3-Chloro-1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-3-Methyl-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698643
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
1-((1-(2-(3-chloro-1-methyl-1H-indol-5-ylamino)pyrimidin-4-yl)-3-methyl-1H-pyrazol-4-yl)methyl)azetidin-3-ol
CID 71698378
(3R)-1-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 89708625
3-(1h-Indazol-4-Yl{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}amino)propan-1-Ol
CID 24751024
2-[[4-[(1-Benzylindazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
CID 9954156
2-(1-{4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidin-4-ylamino)-ethanol
CID 10152514
2-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]ethanol
CID 10159833
4-N-[1-[(3-chlorophenyl)methyl]indazol-5-yl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747311
2-[[4-[[1-[(3-Fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl-methylamino]ethanol
CID 22390536

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol?
The IUPAC name of 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol (CID 78153433) is 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol.
What is the SMILES notation for 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol?
The canonical SMILES for 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol is CCN(Cc1cn(-c2ccnc(Nc3ccc4c(c3)c(Cl)c(C)n4C)n2)nc1C)C(C)CO.
What is the InChIKey of 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol?
The InChIKey is QDCVIVPPSLVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O/c1-6-31(15(2)14-33)12-18-13-32(29-16(18)3)22-9-10-26-24(28-22)27-19-7-8-21-20(11-19)23(25)17(4)30(21)5/h7-11,13,15,33H,6,12,14H2,1-5H3,(H,26,27,28).
What are the key properties of 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol?
2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol has a molecular weight of 468.01 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-[(3-chloro-1,2-dimethylindol-5-yl)amino]pyrimidin-4-yl]-3-methylpyrazol-4-yl]methyl-ethylamino]propan-1-ol is sourced from PubChem (CID 78153433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).