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

C17H24N6O2 — CID 167832257

IUPAC1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide
SMILESCCc1nc([C@H]2C[C@H](CNC(=O)c3cn(C4CC4)cn3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C17H24N6O2/c1-2-15-20-16(22-21-15)10-5-11(14(24)6-10)7-18-17(25)13-8-23(9-19-13)12-3-4-12/h8-12,14,24H,2-7H2,1H3,(H,18,25)(H,20,21,22)/t10-,11+,14+/m0/s1
InChIKeyAPTDFKURIAHTTN-MISXGVKJSA-N
MW344.42 g/mol
LogP1.18
Rot. Bonds6

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

1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide (PubChem CID 167832257) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide
PubChem CID167832257
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide
SMILESCCc1nc([C@H]2C[C@H](CNC(=O)c3cn(C4CC4)cn3)[C@H](O)C2)n[nH]1
InChIInChI=1S/C17H24N6O2/c1-2-15-20-16(22-21-15)10-5-11(14(24)6-10)7-18-17(25)13-8-23(9-19-13)12-3-4-12/h8-12,14,24H,2-7H2,1H3,(H,18,25)(H,20,21,22)/t10-,11+,14+/m0/s1
InChIKeyAPTDFKURIAHTTN-MISXGVKJSA-N
XLogP1.18
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-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 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide (CID 167832257) is 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide is CCc1nc([C@H]2C[C@H](CNC(=O)c3cn(C4CC4)cn3)[C@H](O)C2)n[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide?
The InChIKey is APTDFKURIAHTTN-MISXGVKJSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-2-15-20-16(22-21-15)10-5-11(14(24)6-10)7-18-17(25)13-8-23(9-19-13)12-3-4-12/h8-12,14,24H,2-7H2,1H3,(H,18,25)(H,20,21,22)/t10-,11+,14+/m0/s1.
What are the key properties of 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide?
1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[(1R,2R,4S)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-hydroxycyclopentyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 167832257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).