N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide

C21H23N5O2 — CID 146110356

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2)nn1
InChIInChI=1S/C21H23N5O2/c1-14-2-7-18(25-24-14)16-3-5-17(6-4-16)21(28)23-19-10-15(11-20(19)27)12-26-9-8-22-13-26/h2-9,13,15,19-20,27H,10-12H2,1H3,(H,23,28)/t15?,19-,20-/m1/s1
InChIKeyNOIGUSQUVPMORC-YUZWYKEKSA-N
MW377.45 g/mol
LogP2.22
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide (PubChem CID 146110356) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
PubChem CID146110356
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide
SMILESCc1ccc(-c2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2)nn1
InChIInChI=1S/C21H23N5O2/c1-14-2-7-18(25-24-14)16-3-5-17(6-4-16)21(28)23-19-10-15(11-20(19)27)12-26-9-8-22-13-26/h2-9,13,15,19-20,27H,10-12H2,1H3,(H,23,28)/t15?,19-,20-/m1/s1
InChIKeyNOIGUSQUVPMORC-YUZWYKEKSA-N
XLogP2.22
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide (CID 146110356) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)N[C@@H]3CC(Cn4ccnc4)C[C@H]3O)cc2)nn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
The InChIKey is NOIGUSQUVPMORC-YUZWYKEKSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-2-7-18(25-24-14)16-3-5-17(6-4-16)21(28)23-19-10-15(11-20(19)27)12-26-9-8-22-13-26/h2-9,13,15,19-20,27H,10-12H2,1H3,(H,23,28)/t15?,19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-4-(6-methylpyridazin-3-yl)benzamide is sourced from PubChem (CID 146110356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).