N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C23H23N7O — CID 175929817

IUPACN-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCn1cnnc1C1(c2cccc(NC(=O)c3ccc4c(n3)CCN4)c2)CC(CC#N)C1
InChIInChI=1S/C23H23N7O/c1-30-14-26-29-22(30)23(12-15(13-23)7-9-24)16-3-2-4-17(11-16)27-21(31)20-6-5-18-19(28-20)8-10-25-18/h2-6,11,14-15,25H,7-8,10,12-13H2,1H3,(H,27,31)
InChIKeyKJDIMSNJEPAGCM-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.04
Rot. Bonds5

About N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 175929817) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID175929817
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCn1cnnc1C1(c2cccc(NC(=O)c3ccc4c(n3)CCN4)c2)CC(CC#N)C1
InChIInChI=1S/C23H23N7O/c1-30-14-26-29-22(30)23(12-15(13-23)7-9-24)16-3-2-4-17(11-16)27-21(31)20-6-5-18-19(28-20)8-10-25-18/h2-6,11,14-15,25H,7-8,10,12-13H2,1H3,(H,27,31)
InChIKeyKJDIMSNJEPAGCM-UHFFFAOYSA-N
XLogP3.04
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-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-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 175929817) is N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is Cn1cnnc1C1(c2cccc(NC(=O)c3ccc4c(n3)CCN4)c2)CC(CC#N)C1.
What is the InChIKey of N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is KJDIMSNJEPAGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-30-14-26-29-22(30)23(12-15(13-23)7-9-24)16-3-2-4-17(11-16)27-21(31)20-6-5-18-19(28-20)8-10-25-18/h2-6,11,14-15,25H,7-8,10,12-13H2,1H3,(H,27,31).
What are the key properties of N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(cyanomethyl)-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 175929817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).