N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

C20H19N5O — CID 135342445

IUPACN-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESNc1cc(-c2cncc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C20H19N5O/c21-17-6-12(15-8-22-10-18-14(15)3-4-23-18)5-13-7-19(24-9-16(13)17)25-20(26)11-1-2-11/h5-11,23H,1-4,21H2,(H,24,25,26)
InChIKeyHKGFBISIECZBEV-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.20
Rot. Bonds3

About N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 135342445) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID135342445
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESNc1cc(-c2cncc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C20H19N5O/c21-17-6-12(15-8-22-10-18-14(15)3-4-23-18)5-13-7-19(24-9-16(13)17)25-20(26)11-1-2-11/h5-11,23H,1-4,21H2,(H,24,25,26)
InChIKeyHKGFBISIECZBEV-UHFFFAOYSA-N
XLogP3.20
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide 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-[8-amino-6-(2,3-dihydro-1H-indol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2R)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;N-[8-amino-6-[(2S)-2-methyl-2,3-dihydro-1H-indol-4-yl]isoquinolin-3-yl]cyclopropanecarboxamide;methane
CID 162263736
cis-(1S,2S)-N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135345077
N-[8-amino-6-(5-propan-2-yl-1H-pyrazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448011
4-[2-[[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-oxoethylidene]-N-cyclobutylcyclohexane-1-carboxamide
CID 155478676
4-[8-chloro-3-(cyclopropanecarbonylamino)isoquinolin-6-yl]-2,3-dihydropyrrolo[2,3-c]pyridine-1-carboxylic acid
CID 135342777
N-[8-amino-6-[6-(difluoromethoxy)-4-ethyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448132
N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylpyrazolo[3,4-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 159760819
cis-(1R,2S)-N-[8-amino-6-(5-amino-4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide
CID 135343553
cis-(1S,2S)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 161200786
4-[2-[[8-amino-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]amino]-2-oxoethylidene]-N-(2-cyanoethyl)cyclohexane-1-carboxamide
CID 155478788
N-[8-amino-6-[4-(hydroxymethyl)-2-methyl-1-azabicyclo[3.1.0]hexa-2,4-dien-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 142448172
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 135342445) is N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is Nc1cc(-c2cncc3c2CCN3)cc2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is HKGFBISIECZBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-17-6-12(15-8-22-10-18-14(15)3-4-23-18)5-13-7-19(24-9-16(13)17)25-20(26)11-1-2-11/h5-11,23H,1-4,21H2,(H,24,25,26).
What are the key properties of N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135342445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).