[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

C23H22FN7O4 — CID 150572304

IUPAC[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
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1ccc(F)cc1OC(=O)N(C)C
InChIInChI=1S/C23H22FN7O4/c1-30(2)23(33)35-18-10-16(24)5-4-14(18)11-26-20(32)17-8-15(12-27-21(17)34-3)13-6-7-31-19(9-13)28-22(25)29-31/h4-10,12H,11H2,1-3H3,(H2,25,29)(H,26,32)
InChIKeyIMCFQYWLSFAFOM-UHFFFAOYSA-N
MW479.47 g/mol
LogP2.51
Rot. Bonds6

About [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

[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 (PubChem CID 150572304) has the molecular formula C23H22FN7O4 and a molecular weight of 479.47 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID150572304
Molecular FormulaC23H22FN7O4
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name[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
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1ccc(F)cc1OC(=O)N(C)C
InChIInChI=1S/C23H22FN7O4/c1-30(2)23(33)35-18-10-16(24)5-4-14(18)11-26-20(32)17-8-15(12-27-21(17)34-3)13-6-7-31-19(9-13)28-22(25)29-31/h4-10,12H,11H2,1-3H3,(H2,25,29)(H,26,32)
InChIKeyIMCFQYWLSFAFOM-UHFFFAOYSA-N
XLogP2.51
TPSA136.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 with MolForge

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Related Compounds

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-[[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)-N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 135304837
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-[[2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 153302459
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-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide
CID 152703549
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
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 155074393
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
CID 151941354
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(3,3-difluoropyrrolidine-1-carbonyl)-5-fluorophenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 151715212
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 150121188

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCc1ccc(F)cc1OC(=O)N(C)C.
What is the InChIKey of [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?
The InChIKey is IMCFQYWLSFAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O4/c1-30(2)23(33)35-18-10-16(24)5-4-14(18)11-26-20(32)17-8-15(12-27-21(17)34-3)13-6-7-31-19(9-13)28-22(25)29-31/h4-10,12H,11H2,1-3H3,(H2,25,29)(H,26,32).
What are the key properties of [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?
[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 has a molecular weight of 479.47 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 150572304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).