N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide

C29H32N8O — CID 166716289

IUPACN-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide
SMILESCC1CCN(c2ncc(Cn3cnc(C(=O)N[C@@H]4CCc5c4ncn5C)c3)c(/C=C/c3ccccc3)n2)C1
InChIInChI=1S/C29H32N8O/c1-20-12-13-37(15-20)29-30-14-22(23(34-29)9-8-21-6-4-3-5-7-21)16-36-17-25(31-19-36)28(38)33-24-10-11-26-27(24)32-18-35(26)2/h3-9,14,17-20,24H,10-13,15-16H2,1-2H3,(H,33,38)/b9-8+/t20?,24-/m1/s1
InChIKeyCCYQHKJSQQFCPS-FRACJHDASA-N
MW508.63 g/mol
LogP3.89
Rot. Bonds7

About N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide

N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide (PubChem CID 166716289) has the molecular formula C29H32N8O and a molecular weight of 508.63 g/mol. Its IUPAC name is N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide
PubChem CID166716289
Molecular FormulaC29H32N8O
Molecular Weight508.63 g/mol
Exact Mass508.27
IUPAC NameN-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide
SMILESCC1CCN(c2ncc(Cn3cnc(C(=O)N[C@@H]4CCc5c4ncn5C)c3)c(/C=C/c3ccccc3)n2)C1
InChIInChI=1S/C29H32N8O/c1-20-12-13-37(15-20)29-30-14-22(23(34-29)9-8-21-6-4-3-5-7-21)16-36-17-25(31-19-36)28(38)33-24-10-11-26-27(24)32-18-35(26)2/h3-9,14,17-20,24H,10-13,15-16H2,1-2H3,(H,33,38)/b9-8+/t20?,24-/m1/s1
InChIKeyCCYQHKJSQQFCPS-FRACJHDASA-N
XLogP3.89
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-4-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826389
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(2-methylpropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826378
1-[[6-(5-azaspiro[2.3]hexan-5-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]imidazole-4-carboxamide
CID 156826403
1-[[2-methyl-6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-6-yl]imidazole-4-carboxamide
CID 154963999
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826349
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826584
7-[[2-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpyrimidin-5-yl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 156826189
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-(methyliminomethyl)phenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 166753492
1-[[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]triazole-4-carboxamide
CID 156826208
1-[[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-cyano-2-fluorophenyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826687
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-(3-hydroxypropyl)-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826491
5-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]furan-2-carboxamide
CID 156826411

Frequently Asked Questions

What is the IUPAC name of N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide?
The IUPAC name of N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide (CID 166716289) is N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide is CC1CCN(c2ncc(Cn3cnc(C(=O)N[C@@H]4CCc5c4ncn5C)c3)c(/C=C/c3ccccc3)n2)C1.
What is the InChIKey of N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide?
The InChIKey is CCYQHKJSQQFCPS-FRACJHDASA-N. The full InChI is InChI=1S/C29H32N8O/c1-20-12-13-37(15-20)29-30-14-22(23(34-29)9-8-21-6-4-3-5-7-21)16-36-17-25(31-19-36)28(38)33-24-10-11-26-27(24)32-18-35(26)2/h3-9,14,17-20,24H,10-13,15-16H2,1-2H3,(H,33,38)/b9-8+/t20?,24-/m1/s1.
What are the key properties of N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide?
N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]-1-[[2-(3-methylpyrrolidin-1-yl)-4-[(E)-2-phenylethenyl]pyrimidin-5-yl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 166716289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).