N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide

C16H23N7O3 — CID 163306985

IUPACN-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide
SMILESCCn1cnnc1CCNC(=O)[C@H]1C[C@H](NC(=O)c2cnc[nH]2)[C@@H](O)C1
InChIInChI=1S/C16H23N7O3/c1-2-23-9-20-22-14(23)3-4-18-15(25)10-5-11(13(24)6-10)21-16(26)12-7-17-8-19-12/h7-11,13,24H,2-6H2,1H3,(H,17,19)(H,18,25)(H,21,26)/t10-,11-,13-/m0/s1
InChIKeyHTGPMQDFRDIEKF-GVXVVHGQSA-N
MW361.41 g/mol
LogP-0.75
Rot. Bonds7

About N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide

N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide (PubChem CID 163306985) has the molecular formula C16H23N7O3 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide
PubChem CID163306985
Molecular FormulaC16H23N7O3
Molecular Weight361.41 g/mol
Exact Mass361.19
IUPAC NameN-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide
SMILESCCn1cnnc1CCNC(=O)[C@H]1C[C@H](NC(=O)c2cnc[nH]2)[C@@H](O)C1
InChIInChI=1S/C16H23N7O3/c1-2-23-9-20-22-14(23)3-4-18-15(25)10-5-11(13(24)6-10)21-16(26)12-7-17-8-19-12/h7-11,13,24H,2-6H2,1H3,(H,17,19)(H,18,25)(H,21,26)/t10-,11-,13-/m0/s1
InChIKeyHTGPMQDFRDIEKF-GVXVVHGQSA-N
XLogP-0.75
TPSA137.82 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide 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-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide (CID 163306985) is N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide is CCn1cnnc1CCNC(=O)[C@H]1C[C@H](NC(=O)c2cnc[nH]2)[C@@H](O)C1.
What is the InChIKey of N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide?
The InChIKey is HTGPMQDFRDIEKF-GVXVVHGQSA-N. The full InChI is InChI=1S/C16H23N7O3/c1-2-23-9-20-22-14(23)3-4-18-15(25)10-5-11(13(24)6-10)21-16(26)12-7-17-8-19-12/h7-11,13,24H,2-6H2,1H3,(H,17,19)(H,18,25)(H,21,26)/t10-,11-,13-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide?
N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-4-[2-(4-ethyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-2-hydroxycyclopentyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 163306985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).