methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate

C25H27N7O3 — CID 139406184

IUPACmethyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(-c2nc(-c3c(C)nnn3C3CC3)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1
InChIInChI=1S/C25H27N7O3/c1-14-13-35-9-8-31(14)22-12-21(23-15(2)29-30-32(23)17-4-5-17)27-24(28-22)19-10-16(25(33)34-3)11-20-18(19)6-7-26-20/h6-7,10-12,14,17,26H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
InChIKeyMDIHWXYIYIUVFR-CQSZACIVSA-N
MW473.54 g/mol
LogP3.54
Rot. Bonds5

About methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate

methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate (PubChem CID 139406184) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate
PubChem CID139406184
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Namemethyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(-c2nc(-c3c(C)nnn3C3CC3)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1
InChIInChI=1S/C25H27N7O3/c1-14-13-35-9-8-31(14)22-12-21(23-15(2)29-30-32(23)17-4-5-17)27-24(28-22)19-10-16(25(33)34-3)11-20-18(19)6-7-26-20/h6-7,10-12,14,17,26H,4-5,8-9,13H2,1-3H3/t14-/m1/s1
InChIKeyMDIHWXYIYIUVFR-CQSZACIVSA-N
XLogP3.54
TPSA111.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate 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

[4-[4-(3,5-dimethyltriazol-4-yl)-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-1H-indol-6-yl]methanol
CID 165437035
carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
CID 159681364
carbanide;4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylic acid;methane;methyl 4-[4-(1,4-dimethylpyrazol-5-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1-(4-methylphenyl)sulfonylindole-6-carboxylate;tungsten
CID 160673259
4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406033
(3R)-4-[6-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406154
5-[4-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
CID 168831993
carbanide;(3R)-4-(2,6-dichloropyrimidin-4-yl)-3-methylmorpholine;[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten
CID 160504200
[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-pyridinyl]-1H-indol-6-yl]methanol
CID 139406054
2-[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]thiolane 1,1-dioxide
CID 177380499
(3R)-4-[2-(6-fluoro-1H-indol-4-yl)-6-[3-methyl-1-[(3-methyloxetan-3-yl)methyl]-5-(trifluoromethyl)pyrazol-4-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 155376084
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
CID 167549288
CID 167549288

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate (CID 139406184) is methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate is COC(=O)c1cc(-c2nc(-c3c(C)nnn3C3CC3)cc(N3CCOC[C@H]3C)n2)c2cc[nH]c2c1.
What is the InChIKey of methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate?
The InChIKey is MDIHWXYIYIUVFR-CQSZACIVSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-14-13-35-9-8-31(14)22-12-21(23-15(2)29-30-32(23)17-4-5-17)27-24(28-22)19-10-16(25(33)34-3)11-20-18(19)6-7-26-20/h6-7,10-12,14,17,26H,4-5,8-9,13H2,1-3H3/t14-/m1/s1.
What are the key properties of methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate?
methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate has a molecular weight of 473.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(3-cyclopropyl-5-methyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate is sourced from PubChem (CID 139406184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).