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

C20H23N5O5 — CID 135305015

IUPACmethyl 2-methoxy-5-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3nc(N(C)C(=O)OC(C)(C)C)nc3c2)cnc1OC
InChIInChI=1S/C20H23N5O5/c1-20(2,3)30-19(27)24(4)18-22-15-10-12(7-8-25(15)23-18)13-9-14(17(26)29-6)16(28-5)21-11-13/h7-11H,1-6H3
InChIKeyJUPDVNPJKAGOTO-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.96
Rot. Bonds4

About 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

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 (PubChem CID 135305015) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-3-carboxylate
PubChem CID135305015
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Namemethyl 2-methoxy-5-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3nc(N(C)C(=O)OC(C)(C)C)nc3c2)cnc1OC
InChIInChI=1S/C20H23N5O5/c1-20(2,3)30-19(27)24(4)18-22-15-10-12(7-8-25(15)23-18)13-9-14(17(26)29-6)16(28-5)21-11-13/h7-11H,1-6H3
InChIKeyJUPDVNPJKAGOTO-UHFFFAOYSA-N
XLogP2.96
TPSA108.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
[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
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
6-[[7-(5,6-dimethoxy-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpyridine-2-carboxamide
CID 171783748
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 59273999
methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
CID 155146767
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-methylpyridine-3-carboxylate
CID 22678367
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-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-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 142412280

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1cc(-c2ccn3nc(N(C)C(=O)OC(C)(C)C)nc3c2)cnc1OC.
What is the InChIKey of 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?
The InChIKey is JUPDVNPJKAGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-20(2,3)30-19(27)24(4)18-22-15-10-12(7-8-25(15)23-18)13-9-14(17(26)29-6)16(28-5)21-11-13/h7-11H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 413.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135305015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).