N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide

C24H24N4O — CID 132606872

IUPACN-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CNC(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C24H24N4O/c25-12-16-5-6-17-7-8-28(14-20(17)9-16)15-21-10-19(21)13-26-24(29)23-11-18-3-1-2-4-22(18)27-23/h1-6,9,11,19,21,27H,7-8,10,13-15H2,(H,26,29)/t19-,21-/m0/s1
InChIKeyZCBXYIZYCUOYFO-FPOVZHCZSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds5

About N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide

N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide (PubChem CID 132606872) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
PubChem CID132606872
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide
SMILESN#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CNC(=O)c1cc3ccccc3[nH]1)CC2
InChIInChI=1S/C24H24N4O/c25-12-16-5-6-17-7-8-28(14-20(17)9-16)15-21-10-19(21)13-26-24(29)23-11-18-3-1-2-4-22(18)27-23/h1-6,9,11,19,21,27H,7-8,10,13-15H2,(H,26,29)/t19-,21-/m0/s1
InChIKeyZCBXYIZYCUOYFO-FPOVZHCZSA-N
XLogP3.46
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[(1R,2S)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
CID 132606869
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[1-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-5-fluoro-1H-indole-2-carboxamide
CID 174407394
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 2219273
2,2-dimethyl-1,3-dihydroindene-5-carbonitrile;1H-indole-2-carboxamide
CID 143751482
N-[[2-(2-amino-3,4-dioxocyclobuten-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]methyl]-1H-indole-2-carboxamide
CID 59802969
N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 122178864
N-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 131896123
N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 2964205
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
N-[(1R)-1-cyanoethyl]-1H-indole-2-carboxamide
CID 95253875

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide (CID 132606872) is N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide is N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1CNC(=O)c1cc3ccccc3[nH]1)CC2.
What is the InChIKey of N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZCBXYIZYCUOYFO-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H24N4O/c25-12-16-5-6-17-7-8-28(14-20(17)9-16)15-21-10-19(21)13-26-24(29)23-11-18-3-1-2-4-22(18)27-23/h1-6,9,11,19,21,27H,7-8,10,13-15H2,(H,26,29)/t19-,21-/m0/s1.
What are the key properties of N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide?
N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R)-2-[(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)methyl]cyclopropyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 132606872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).