tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate

C26H31N7O2 — CID 171084209

IUPACtert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2nc(Cn3cc(-c4cccnc4)nn3)cn2c1)CC1CCC1
InChIInChI=1S/C26H31N7O2/c1-26(2,3)35-25(34)32(13-19-6-4-7-19)15-20-9-10-24-28-22(16-31(24)14-20)17-33-18-23(29-30-33)21-8-5-11-27-12-21/h5,8-12,14,16,18-19H,4,6-7,13,15,17H2,1-3H3
InChIKeyMKCANMNKKBQYAA-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.57
Rot. Bonds7

About tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate

tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (PubChem CID 171084209) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
PubChem CID171084209
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Nametert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2nc(Cn3cc(-c4cccnc4)nn3)cn2c1)CC1CCC1
InChIInChI=1S/C26H31N7O2/c1-26(2,3)35-25(34)32(13-19-6-4-7-19)15-20-9-10-24-28-22(16-31(24)14-20)17-33-18-23(29-30-33)21-8-5-11-27-12-21/h5,8-12,14,16,18-19H,4,6-7,13,15,17H2,1-3H3
InChIKeyMKCANMNKKBQYAA-UHFFFAOYSA-N
XLogP4.57
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[[2-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815794
tert-butyl N-(cyclobutylmethyl)-N-[[2-[[4-[5-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815710
tert-butyl N-[[2-(chloromethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 155167927
4-[1-[[6-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-1-(oxan-2-yl)indazole-6-sulfinic acid
CID 155191170
tert-butyl N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]carbamate
CID 176815719
tert-butyl N-[[2-(1-aminoethyl)imidazo[1,2-a]pyridin-6-yl]methyl]-N-(cyclobutylmethyl)carbamate
CID 176815649
tert-butyl 2-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-[[4-(5-pyrrol-1-yl-3-pyridinyl)triazol-1-yl]methyl]indole-1-carboxylate
CID 171084382
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(6-methoxy-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 174344899
tert-butyl 2-[[cyclobutylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-6-[[4-(5-nitro-3-pyridinyl)triazol-1-yl]methyl]indole-1-carboxylate
CID 171084369
1-cyclobutyl-N-[[2-[[4-[5-(2,5-dihydropyrrol-1-yl)-3-pyridinyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]methanamine
CID 171084244
tert-butyl N-(cyclobutylmethyl)-N-[[2-[1-(5-pyrrolidin-1-yl-3-pyridinyl)butan-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 176815698
tert-butyl N-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methyl]-N-[[2-[[4-[6-nitro-1-(oxan-2-yl)indazol-4-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate
CID 171084495

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate (CID 171084209) is tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is CC(C)(C)OC(=O)N(Cc1ccc2nc(Cn3cc(-c4cccnc4)nn3)cn2c1)CC1CCC1.
What is the InChIKey of tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
The InChIKey is MKCANMNKKBQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-26(2,3)35-25(34)32(13-19-6-4-7-19)15-20-9-10-24-28-22(16-31(24)14-20)17-33-18-23(29-30-33)21-8-5-11-27-12-21/h5,8-12,14,16,18-19H,4,6-7,13,15,17H2,1-3H3.
What are the key properties of tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate?
tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate has a molecular weight of 473.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclobutylmethyl)-N-[[2-[(4-pyridin-3-yltriazol-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]carbamate is sourced from PubChem (CID 171084209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).