tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate

C24H31N7O4 — CID 150683218

IUPACtert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H31N7O4/c1-24(2,3)35-23(33)28-17-7-5-6-16(12-17)27-20(32)18-10-15(13-26-21(18)34-4)14-8-9-31-19(11-14)29-22(25)30-31/h8-11,13,16-17H,5-7,12H2,1-4H3,(H2,25,30)(H,27,32)(H,28,33)
InChIKeyJIHUNHANXLPSIB-UHFFFAOYSA-N
MW481.56 g/mol
LogP2.95
Rot. Bonds5

About tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate

tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate (PubChem CID 150683218) has the molecular formula C24H31N7O4 and a molecular weight of 481.56 g/mol. Its IUPAC name is tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate
PubChem CID150683218
Molecular FormulaC24H31N7O4
Molecular Weight481.56 g/mol
Exact Mass481.24
IUPAC Nametert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NC1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H31N7O4/c1-24(2,3)35-23(33)28-17-7-5-6-16(12-17)27-20(32)18-10-15(13-26-21(18)34-4)14-8-9-31-19(11-14)29-22(25)30-31/h8-11,13,16-17H,5-7,12H2,1-4H3,(H2,25,30)(H,27,32)(H,28,33)
InChIKeyJIHUNHANXLPSIB-UHFFFAOYSA-N
XLogP2.95
TPSA145.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate with MolForge

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide
CID 152703549
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 135304812
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[4-fluoro-2-(oxolan-2-yloxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 153302348
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 135304837
methyl 2-methoxy-5-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-3-carboxylate
CID 135305015
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 142412280
[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-3-pyridinyl]-[3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 150349405
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 142412296
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 153302459
N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide
CID 165374253
[2-[[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]methyl]-5-fluorophenyl] N,N-dimethylcarbamate
CID 150572304
tert-butyl N-[(1S,3S)-3-[(4-tert-butylbenzoyl)amino]cyclohexyl]carbamate
CID 124675025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate (CID 150683218) is tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate is COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NC1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate?
The InChIKey is JIHUNHANXLPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O4/c1-24(2,3)35-23(33)28-17-7-5-6-16(12-17)27-20(32)18-10-15(13-26-21(18)34-4)14-8-9-31-19(11-14)29-22(25)30-31/h8-11,13,16-17H,5-7,12H2,1-4H3,(H2,25,30)(H,27,32)(H,28,33).
What are the key properties of tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate?
tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate has a molecular weight of 481.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carbonyl]amino]cyclohexyl]carbamate is sourced from PubChem (CID 150683218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).