N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide

C20H22N4O2 — CID 146110527

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c25-19-9-14(12-24-7-6-21-13-24)8-18(19)23-20(26)16-10-17(22-11-16)15-4-2-1-3-5-15/h1-7,10-11,13-14,18-19,22,25H,8-9,12H2,(H,23,26)/t14?,18-,19-/m1/s1
InChIKeyADXRQUBBOLTEOW-JDBFWQQPSA-N
MW350.42 g/mol
LogP2.45
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 146110527) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
PubChem CID146110527
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c[nH]c(-c2ccccc2)c1
InChIInChI=1S/C20H22N4O2/c25-19-9-14(12-24-7-6-21-13-24)8-18(19)23-20(26)16-10-17(22-11-16)15-4-2-1-3-5-15/h1-7,10-11,13-14,18-19,22,25H,8-9,12H2,(H,23,26)/t14?,18-,19-/m1/s1
InChIKeyADXRQUBBOLTEOW-JDBFWQQPSA-N
XLogP2.45
TPSA82.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 146110347
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146110168
3-benzyl-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]triazole-4-carboxamide
CID 146110319
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3-(1,2,4-triazol-1-yl)benzamide
CID 146110219
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
2-(2-fluorophenoxy)-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 166303406
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,3-oxazole-4-carboxamide
CID 146110207
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 146110356
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 146110268
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-1,8-naphthyridine-2-carboxamide
CID 146110346
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-3,4-dimethylcinnoline-6-carboxamide
CID 146110445

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide (CID 146110527) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2)C[C@H]1O)c1c[nH]c(-c2ccccc2)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is ADXRQUBBOLTEOW-JDBFWQQPSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19-9-14(12-24-7-6-21-13-24)8-18(19)23-20(26)16-10-17(22-11-16)15-4-2-1-3-5-15/h1-7,10-11,13-14,18-19,22,25H,8-9,12H2,(H,23,26)/t14?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-5-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 146110527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).