trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol

C17H25N5O2 — CID 167988084

IUPACtrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCC(C)COc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C17H25N5O2/c1-12(2)10-24-17-8-19-7-16(21-17)20-14-5-13(6-15(14)23)9-22-4-3-18-11-22/h3-4,7-8,11-15,23H,5-6,9-10H2,1-2H3,(H,20,21)/t13?,14-,15-/m1/s1
InChIKeyHFVNBOGEULHTIS-JVIGXAJISA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds7

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol (PubChem CID 167988084) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol
PubChem CID167988084
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol
SMILESCC(C)COc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1
InChIInChI=1S/C17H25N5O2/c1-12(2)10-24-17-8-19-7-16(21-17)20-14-5-13(6-15(14)23)9-22-4-3-18-11-22/h3-4,7-8,11-15,23H,5-6,9-10H2,1-2H3,(H,20,21)/t13?,14-,15-/m1/s1
InChIKeyHFVNBOGEULHTIS-JVIGXAJISA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol with MolForge

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Related Compounds

6-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyrazine-2-carbonitrile
CID 146113068
trans-(1R,2R)-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167847437
trans-(1R,2R)-2-[(5-cyclobutyl-1,3-oxazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167771937
trans-(1R,2R)-4-[(4-chloropyrazol-1-yl)methyl]-2-[(6-ethoxypyrazin-2-yl)amino]cyclopentan-1-ol
CID 167973648
trans-(1R,2R)-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167896963
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
trans-(1R,2R)-2-[[3-(hydroxymethyl)-4-pyridinyl]amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167883166
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154803148
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
CID 154800415
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol
CID 146113081
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-(2-methoxyethoxy)pyridine-4-carboxamide
CID 146110268

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol (CID 167988084) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol is CC(C)COc1cncc(N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)n1.
What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is HFVNBOGEULHTIS-JVIGXAJISA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)10-24-17-8-19-7-16(21-17)20-14-5-13(6-15(14)23)9-22-4-3-18-11-22/h3-4,7-8,11-15,23H,5-6,9-10H2,1-2H3,(H,20,21)/t13?,14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol?
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 331.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 167988084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).