benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

C19H19ClN4O2 — CID 89395489

IUPACbenzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1ncc2c(Cl)nccn12
InChIInChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2
InChIKeyJVXMGBYCKQHDIK-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.25
Rot. Bonds3

About benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate

benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (PubChem CID 89395489) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
PubChem CID89395489
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Namebenzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1c1ncc2c(Cl)nccn12
InChIInChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2
InChIKeyJVXMGBYCKQHDIK-UHFFFAOYSA-N
XLogP4.25
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
4-[(4-Chlorophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-2-one
CID 89690365
6-((4-Chlorobenzyl)oxy)-3-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyrimidin-4(3H)-one
CID 89691440
(Z)-4-methoxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbut-2-en-1-one
CID 10716220
1-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methylimidazo[1,5-a]pyridine
CID 168284020
3-[[4-[(4-Chloro-3-fluorophenyl)methoxy]piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 168297637
4-(4-Chlorobenzyloxy)-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyrimidin-6-yl)pyridin-2(1h)-one
CID 121386280
benzyl N-[9-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]purin-6-yl]carbamate
CID 44144267
2-[1-(1-Benzyloxycarbonylpiperidin-4-yl)methyl-amino]-4-[benzimidazol-1-yl]pyrimidine
CID 9803404
benzyl 2-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867984
US11376258, Example 25
CID 166595678

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate (CID 89395489) is benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1c1ncc2c(Cl)nccn12.
What is the InChIKey of benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
The InChIKey is JVXMGBYCKQHDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c20-17-16-12-22-18(23(16)11-9-21-17)15-8-4-5-10-24(15)19(25)26-13-14-6-2-1-3-7-14/h1-3,6-7,9,11-12,15H,4-5,8,10,13H2.
What are the key properties of benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate?
benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate has a molecular weight of 370.84 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 89395489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).