2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

C30H35N5O4 — CID 25059761

IUPAC2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOCCN(C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C)C(C)C
InChIInChI=1S/C30H35N5O4/c1-19(2)35(13-14-38-5)30(37)33-26-12-11-20(15-24(26)29(36)34(3)4)21-16-23-25(18-32-28(23)31-17-21)22-9-7-8-10-27(22)39-6/h7-12,15-19H,13-14H2,1-6H3,(H,31,32)(H,33,37)
InChIKeyIDBWASWUQAQZMI-UHFFFAOYSA-N
MW529.64 g/mol
LogP5.50
Rot. Bonds9

About 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide

2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 25059761) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID25059761
Molecular FormulaC30H35N5O4
Molecular Weight529.64 g/mol
Exact Mass529.27
IUPAC Name2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide
SMILESCOCCN(C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C)C(C)C
InChIInChI=1S/C30H35N5O4/c1-19(2)35(13-14-38-5)30(37)33-26-12-11-20(15-24(26)29(36)34(3)4)21-16-23-25(18-32-28(23)31-17-21)22-9-7-8-10-27(22)39-6/h7-12,15-19H,13-14H2,1-6H3,(H,31,32)(H,33,37)
InChIKeyIDBWASWUQAQZMI-UHFFFAOYSA-N
XLogP5.50
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide 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 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide (CID 25059761) is 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is COCCN(C(=O)Nc1ccc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc1C(=O)N(C)C)C(C)C.
What is the InChIKey of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is IDBWASWUQAQZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-19(2)35(13-14-38-5)30(37)33-26-12-11-20(15-24(26)29(36)34(3)4)21-16-23-25(18-32-28(23)31-17-21)22-9-7-8-10-27(22)39-6/h7-12,15-19H,13-14H2,1-6H3,(H,31,32)(H,33,37).
What are the key properties of 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide?
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 529.64 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 25059761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).