(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide

C19H28N6O3 — CID 166613396

IUPAC(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]1O
InChIInChI=1S/C19H28N6O3/c1-11-14(12(2)25(3)24-11)4-5-18(27)23-15-8-13(9-16(15)26)19(28)22-10-17-20-6-7-21-17/h6-7,13,15-16,26H,4-5,8-10H2,1-3H3,(H,20,21)(H,22,28)(H,23,27)/t13-,15-,16-/m0/s1
InChIKeyWWSBGXZPLUGIBN-BPUTZDHNSA-N
MW388.47 g/mol
LogP0.26
Rot. Bonds7

About (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide

(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide (PubChem CID 166613396) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide
PubChem CID166613396
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)N[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]1O
InChIInChI=1S/C19H28N6O3/c1-11-14(12(2)25(3)24-11)4-5-18(27)23-15-8-13(9-16(15)26)19(28)22-10-17-20-6-7-21-17/h6-7,13,15-16,26H,4-5,8-10H2,1-3H3,(H,20,21)(H,22,28)(H,23,27)/t13-,15-,16-/m0/s1
InChIKeyWWSBGXZPLUGIBN-BPUTZDHNSA-N
XLogP0.26
TPSA124.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-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 (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide (CID 166613396) is (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide is Cc1nn(C)c(C)c1CCC(=O)N[C@H]1C[C@H](C(=O)NCc2ncc[nH]2)C[C@@H]1O.
What is the InChIKey of (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide?
The InChIKey is WWSBGXZPLUGIBN-BPUTZDHNSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-11-14(12(2)25(3)24-11)4-5-18(27)23-15-8-13(9-16(15)26)19(28)22-10-17-20-6-7-21-17/h6-7,13,15-16,26H,4-5,8-10H2,1-3H3,(H,20,21)(H,22,28)(H,23,27)/t13-,15-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide?
(1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 0.26, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-hydroxy-N-(1H-imidazol-2-ylmethyl)-4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 166613396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).