1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one

C24H27ClN4O2 — CID 123763084

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
SMILESO=C(c1nc2c(C3CC3)cc(C3CC3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1
InChIInChI=1S/C24H27ClN4O2/c25-22-21(26-23-19(14-3-4-14)10-17(11-29(22)23)13-1-2-13)24(31)27-5-6-28(20(30)12-27)18-8-15-7-16(15)9-18/h10-11,13-16,18H,1-9,12H2
InChIKeyPUZIDSHTXJOKNB-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one

1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one (PubChem CID 123763084) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
PubChem CID123763084
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one
SMILESO=C(c1nc2c(C3CC3)cc(C3CC3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1
InChIInChI=1S/C24H27ClN4O2/c25-22-21(26-23-19(14-3-4-14)10-17(11-29(22)23)13-1-2-13)24(31)27-5-6-28(20(30)12-27)18-8-15-7-16(15)9-18/h10-11,13-16,18H,1-9,12H2
InChIKeyPUZIDSHTXJOKNB-UHFFFAOYSA-N
XLogP3.83
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one (CID 123763084) is 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one is O=C(c1nc2c(C3CC3)cc(C3CC3)cn2c1Cl)N1CCN(C2CC3CC3C2)C(=O)C1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
The InChIKey is PUZIDSHTXJOKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c25-22-21(26-23-19(14-3-4-14)10-17(11-29(22)23)13-1-2-13)24(31)27-5-6-28(20(30)12-27)18-8-15-7-16(15)9-18/h10-11,13-16,18H,1-9,12H2.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one?
1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one has a molecular weight of 438.96 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-4-(3-chloro-6,8-dicyclopropylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 123763084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).