(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C14H16ClN3O — CID 155631303

IUPAC(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(c2c(Cl)ccc3cncn23)C[C@H]2CNC[C@@H]2C1
InChIInChI=1S/C14H16ClN3O/c15-12-2-1-11-7-17-8-18(11)13(12)14(19)3-9-5-16-6-10(9)4-14/h1-2,7-10,16,19H,3-6H2/t9-,10-/m0/s1
InChIKeyNWAPVDSXWSJFTA-UWVGGRQHSA-N
MW277.75 g/mol
LogP1.80
Rot. Bonds1

About (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 155631303) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID155631303
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESOC1(c2c(Cl)ccc3cncn23)C[C@H]2CNC[C@@H]2C1
InChIInChI=1S/C14H16ClN3O/c15-12-2-1-11-7-17-8-18(11)13(12)14(19)3-9-5-16-6-10(9)4-14/h1-2,7-10,16,19H,3-6H2/t9-,10-/m0/s1
InChIKeyNWAPVDSXWSJFTA-UWVGGRQHSA-N
XLogP1.80
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 155631303) is (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is OC1(c2c(Cl)ccc3cncn23)C[C@H]2CNC[C@@H]2C1.
What is the InChIKey of (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is NWAPVDSXWSJFTA-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-2-1-11-7-17-8-18(11)13(12)14(19)3-9-5-16-6-10(9)4-14/h1-2,7-10,16,19H,3-6H2/t9-,10-/m0/s1.
What are the key properties of (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 277.75 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 155631303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).