N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C27H33N3O3 — CID 146236627

IUPACN-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3C3=CCC(C)CC3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H33N3O3/c1-6-28-25(31)23-14-21-22(15-30(5)26(32)24(21)29-23)20-13-18(27(3,4)33)11-12-19(20)17-9-7-16(2)8-10-17/h9,11-16,29,33H,6-8,10H2,1-5H3,(H,28,31)
InChIKeySQFCRMYXRGKHPY-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.71
Rot. Bonds5

About N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 146236627) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID146236627
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3C3=CCC(C)CC3)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C27H33N3O3/c1-6-28-25(31)23-14-21-22(15-30(5)26(32)24(21)29-23)20-13-18(27(3,4)33)11-12-19(20)17-9-7-16(2)8-10-17/h9,11-16,29,33H,6-8,10H2,1-5H3,(H,28,31)
InChIKeySQFCRMYXRGKHPY-UHFFFAOYSA-N
XLogP4.71
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 146236627) is N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3C3=CCC(C)CC3)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is SQFCRMYXRGKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-6-28-25(31)23-14-21-22(15-30(5)26(32)24(21)29-23)20-13-18(27(3,4)33)11-12-19(20)17-9-7-16(2)8-10-17/h9,11-16,29,33H,6-8,10H2,1-5H3,(H,28,31).
What are the key properties of N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexen-1-yl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 146236627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).