N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

C29H39N7O3 — CID 177368888

IUPACN-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)CN(C)CC2N1CCNC1=O)C(C1CC1)C1CC1
InChIInChI=1S/C29H39N7O3/c1-17(2)36-23(10-11-31-36)27(37)33-26(25(18-4-5-18)19-6-7-19)28(38)32-21-8-9-22-20(14-21)15-34(3)16-24(22)35-13-12-30-29(35)39/h8-11,14,17-19,24-26H,4-7,12-13,15-16H2,1-3H3,(H,30,39)(H,32,38)(H,33,37)
InChIKeyMIIBGHAALAOTBQ-UHFFFAOYSA-N
MW533.68 g/mol
LogP3.15
Rot. Bonds9

About N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 177368888) has the molecular formula C29H39N7O3 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID177368888
Molecular FormulaC29H39N7O3
Molecular Weight533.68 g/mol
Exact Mass533.31
IUPAC NameN-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)CN(C)CC2N1CCNC1=O)C(C1CC1)C1CC1
InChIInChI=1S/C29H39N7O3/c1-17(2)36-23(10-11-31-36)27(37)33-26(25(18-4-5-18)19-6-7-19)28(38)32-21-8-9-22-20(14-21)15-34(3)16-24(22)35-13-12-30-29(35)39/h8-11,14,17-19,24-26H,4-7,12-13,15-16H2,1-3H3,(H,30,39)(H,32,38)(H,33,37)
InChIKeyMIIBGHAALAOTBQ-UHFFFAOYSA-N
XLogP3.15
TPSA111.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.68
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3-oxo-2,4-diazabicyclo[3.1.1]heptan-2-yl)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368438
N-[(2S)-1,1-dicyclopropyl-3-[[1-(6-methyl-2-oxo-1H-pyridin-3-yl)-2,3-dihydro-1H-inden-5-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368818
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(3S)-3-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-6-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368638
N-[(2S)-1-[[(1S)-1-amino-1-methyl-2,3-dihydroinden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368745
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368727
tert-butyl 5-[[(2S)-3,3-dicyclopropyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]propanoyl]amino]-1-(2,2,2-trifluoroethylcarbamoyl)-1,3-dihydroisoindole-2-carboxylate
CID 177368584
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-[[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368906
N-[1,1-dicyclopropyl-3-oxo-3-[[(1R)-1-(2,2,2-trifluoroethylcarbamoyl)-3,4-dihydro-1H-isochromen-6-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368785
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-2,3-dimethylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368532
N-[(2S)-1,1-dicyclopropyl-3-[4-(1,4-dimethylpyrazol-5-yl)-3-hydroxyanilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 154953646
N-[(2S)-1-[[(1R)-1-[[(2R)-2-acetamido-3-fluoro-3-methylbutanoyl]amino]-2,3-dihydro-1H-inden-5-yl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368897
N-[(2S)-1,1-dicyclopropyl-3-oxo-3-[[1-[2-(trifluoromethoxy)ethylcarbamoyl]-2,3-dihydro-1H-inden-5-yl]amino]propan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 177368889

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide (CID 177368888) is N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NC(C(=O)Nc1ccc2c(c1)CN(C)CC2N1CCNC1=O)C(C1CC1)C1CC1.
What is the InChIKey of N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is MIIBGHAALAOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N7O3/c1-17(2)36-23(10-11-31-36)27(37)33-26(25(18-4-5-18)19-6-7-19)28(38)32-21-8-9-22-20(14-21)15-34(3)16-24(22)35-13-12-30-29(35)39/h8-11,14,17-19,24-26H,4-7,12-13,15-16H2,1-3H3,(H,30,39)(H,32,38)(H,33,37).
What are the key properties of N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 533.68 g/mol, XLogP of 3.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dicyclopropyl-3-[[2-methyl-4-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-isoquinolin-7-yl]amino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 177368888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).