(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol

C17H24N4O — CID 97159578

IUPAC(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](C2CCCCC2)N(Cc2cnc3cnccn23)C1
InChIInChI=1S/C17H24N4O/c22-15-8-16(13-4-2-1-3-5-13)20(12-15)11-14-9-19-17-10-18-6-7-21(14)17/h6-7,9-10,13,15-16,22H,1-5,8,11-12H2/t15-,16-/m1/s1
InChIKeySGTRBUHGWVKVNI-HZPDHXFCSA-N
MW300.41 g/mol
LogP2.24
Rot. Bonds3

About (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol

(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol (PubChem CID 97159578) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol
PubChem CID97159578
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](C2CCCCC2)N(Cc2cnc3cnccn23)C1
InChIInChI=1S/C17H24N4O/c22-15-8-16(13-4-2-1-3-5-13)20(12-15)11-14-9-19-17-10-18-6-7-21(14)17/h6-7,9-10,13,15-16,22H,1-5,8,11-12H2/t15-,16-/m1/s1
InChIKeySGTRBUHGWVKVNI-HZPDHXFCSA-N
XLogP2.24
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol (CID 97159578) is (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol is O[C@@H]1C[C@H](C2CCCCC2)N(Cc2cnc3cnccn23)C1.
What is the InChIKey of (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol?
The InChIKey is SGTRBUHGWVKVNI-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H24N4O/c22-15-8-16(13-4-2-1-3-5-13)20(12-15)11-14-9-19-17-10-18-6-7-21(14)17/h6-7,9-10,13,15-16,22H,1-5,8,11-12H2/t15-,16-/m1/s1.
What are the key properties of (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol?
(3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol has a molecular weight of 300.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-cyclohexyl-1-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97159578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).