tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate

C13H16ClN3O2 — CID 139498962

IUPACtert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncn2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN3O2/c1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyNPNAAPYBZWXDNP-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.01
Rot. Bonds2

About tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate

tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate (PubChem CID 139498962) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
PubChem CID139498962
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Nametert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncn2ccc(Cl)cc12
InChIInChI=1S/C13H16ClN3O2/c1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyNPNAAPYBZWXDNP-UHFFFAOYSA-N
XLogP3.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]carbamate
CID 101236450
tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
CID 119020406
tert-butyl N-[(3-chloroquinoxalin-2-yl)methyl]carbamate
CID 117274297
[4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
CID 59463172
N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-5-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 139488191
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
tert-butyl N-[(7-phenylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 175306900
4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 7146376
tert-butyl N-[(5-chloro-3H-indol-2-yl)methyl]carbamate
CID 157342432
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[2-(3,7-dichloroquinoxalin-2-yl)ethyl]carbamate
CID 117274813
tert-butyl N-[(2-amino-6-chloroquinolin-3-yl)methyl]carbamate
CID 123920794

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate (CID 139498962) is tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ncn2ccc(Cl)cc12.
What is the InChIKey of tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate?
The InChIKey is NPNAAPYBZWXDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-13(2,3)19-12(18)15-7-10-11-6-9(14)4-5-17(11)8-16-10/h4-6,8H,7H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate?
tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate has a molecular weight of 281.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]carbamate is sourced from PubChem (CID 139498962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).