7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

C30H37N7O4 — CID 23540354

IUPAC7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccnc(N)n4)c3n2C)cc(C(C)(C)C)cc1C(=O)NCCN(C)C
InChIInChI=1S/C30H37N7O4/c1-30(2,3)19-16-20(27(38)32-13-14-36(4)5)26(40-7)21(17-19)34-28(39)22-15-18-9-8-10-23(25(18)37(22)6)41-24-11-12-33-29(31)35-24/h8-12,15-17H,13-14H2,1-7H3,(H,32,38)(H,34,39)(H2,31,33,35)
InChIKeyKMRATFQIZARNGI-UHFFFAOYSA-N
MW559.67 g/mol
LogP4.19
Rot. Bonds9

About 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide

7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (PubChem CID 23540354) has the molecular formula C30H37N7O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
PubChem CID23540354
Molecular FormulaC30H37N7O4
Molecular Weight559.67 g/mol
Exact Mass559.29
IUPAC Name7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
SMILESCOc1c(NC(=O)c2cc3cccc(Oc4ccnc(N)n4)c3n2C)cc(C(C)(C)C)cc1C(=O)NCCN(C)C
InChIInChI=1S/C30H37N7O4/c1-30(2,3)19-16-20(27(38)32-13-14-36(4)5)26(40-7)21(17-19)34-28(39)22-15-18-9-8-10-23(25(18)37(22)6)41-24-11-12-33-29(31)35-24/h8-12,15-17H,13-14H2,1-7H3,(H,32,38)(H,34,39)(H2,31,33,35)
InChIKeyKMRATFQIZARNGI-UHFFFAOYSA-N
XLogP4.19
TPSA136.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.67
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide 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

N-[5-tert-butyl-2-methoxy-3-(methylcarbamoyl)phenyl]-1-methyl-7-[2-(methylamino)pyrimidin-4-yl]oxyindole-2-carboxamide
CID 11952407
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-(dimethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10460590
7-[2-[(dimethylamino)methyl]pyrimidin-4-yl]oxy-N-[3-(methanesulfonamido)-2-methoxy-5-(trifluoromethyl)phenyl]-1-methylindole-2-carboxamide
CID 23540363
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-(2-imidazol-1-ylethylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 23540350
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-7-[2-[2-(4-tert-butylpiperazin-1-yl)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxamide
CID 10394904
3-amino-5-tert-butyl-2-methoxy-N-methylbenzenesulfonamide;7-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
CID 172777306
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide
CID 11949922
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methyl-7-phenylmethoxyindole-2-carboxamide
CID 58608271
N-(5-tert-butyl-2-methyl-3-pyridinyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyindole-2-carboxamide
CID 11720449
7-[2-[2-(dimethylamino)ethyl]pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid
CID 22025260
7-(4-acetyl-1,4-diazepane-1-carbonyl)-N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 58608248
N-(5-tert-butyl-2-methylsulfinylphenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyindole-2-carboxamide
CID 11599359

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide (CID 23540354) is 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is COc1c(NC(=O)c2cc3cccc(Oc4ccnc(N)n4)c3n2C)cc(C(C)(C)C)cc1C(=O)NCCN(C)C.
What is the InChIKey of 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
The InChIKey is KMRATFQIZARNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O4/c1-30(2,3)19-16-20(27(38)32-13-14-36(4)5)26(40-7)21(17-19)34-28(39)22-15-18-9-8-10-23(25(18)37(22)6)41-24-11-12-33-29(31)35-24/h8-12,15-17H,13-14H2,1-7H3,(H,32,38)(H,34,39)(H2,31,33,35).
What are the key properties of 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide?
7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide has a molecular weight of 559.67 g/mol, XLogP of 4.19, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-4-yl)oxy-N-[5-tert-butyl-3-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyphenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 23540354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).