1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

C12H18ClN3 — CID 117247485

IUPAC1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Cl)nc(C3CCNC3)n21
InChIInChI=1S/C12H18ClN3/c1-8-3-2-4-10-11(13)15-12(16(8)10)9-5-6-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyVUDPAURGDPCWTP-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds1

About 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine

1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (PubChem CID 117247485) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
PubChem CID117247485
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
SMILESCC1CCCc2c(Cl)nc(C3CCNC3)n21
InChIInChI=1S/C12H18ClN3/c1-8-3-2-4-10-11(13)15-12(16(8)10)9-5-6-14-7-9/h8-9,14H,2-7H2,1H3
InChIKeyVUDPAURGDPCWTP-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The IUPAC name of 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine (CID 117247485) is 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The canonical SMILES for 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is CC1CCCc2c(Cl)nc(C3CCNC3)n21.
What is the InChIKey of 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
The InChIKey is VUDPAURGDPCWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-8-3-2-4-10-11(13)15-12(16(8)10)9-5-6-14-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine?
1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine has a molecular weight of 239.75 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyl-3-pyrrolidin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117247485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).