2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide

C24H27N5O — CID 158557883

IUPAC2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2cnn(C)c2)cc(C)c1Cc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C24H27N5O/c1-16-10-18(19-13-26-28(5)14-19)11-17(2)21(16)12-22-20-7-9-29(15-24(30)27(3)4)23(20)6-8-25-22/h6-11,13-14H,12,15H2,1-5H3
InChIKeyHQMYPIVNWXHORZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.73
Rot. Bonds5

About 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 158557883) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID158557883
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCc1cc(-c2cnn(C)c2)cc(C)c1Cc1nccc2c1ccn2CC(=O)N(C)C
InChIInChI=1S/C24H27N5O/c1-16-10-18(19-13-26-28(5)14-19)11-17(2)21(16)12-22-20-7-9-29(15-24(30)27(3)4)23(20)6-8-25-22/h6-11,13-14H,12,15H2,1-5H3
InChIKeyHQMYPIVNWXHORZ-UHFFFAOYSA-N
XLogP3.73
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide 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-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 158557883) is 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide is Cc1cc(-c2cnn(C)c2)cc(C)c1Cc1nccc2c1ccn2CC(=O)N(C)C.
What is the InChIKey of 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is HQMYPIVNWXHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16-10-18(19-13-26-28(5)14-19)11-17(2)21(16)12-22-20-7-9-29(15-24(30)27(3)4)23(20)6-8-25-22/h6-11,13-14H,12,15H2,1-5H3.
What are the key properties of 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 401.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,6-dimethyl-4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 158557883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).