5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide

C22H20F2N6O3 — CID 142412326

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N6O3/c1-33-21-15(20(32)26-6-4-18(31)13-2-3-16(23)17(24)9-13)8-14(11-27-21)12-5-7-30-19(10-12)28-22(25)29-30/h2-3,5,7-11,18,31H,4,6H2,1H3,(H2,25,29)(H,26,32)
InChIKeyCZEXAUZTGDVUEV-UHFFFAOYSA-N
MW454.44 g/mol
LogP2.51
Rot. Bonds7

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide (PubChem CID 142412326) has the molecular formula C22H20F2N6O3 and a molecular weight of 454.44 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
PubChem CID142412326
Molecular FormulaC22H20F2N6O3
Molecular Weight454.44 g/mol
Exact Mass454.16
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C22H20F2N6O3/c1-33-21-15(20(32)26-6-4-18(31)13-2-3-16(23)17(24)9-13)8-14(11-27-21)12-5-7-30-19(10-12)28-22(25)29-30/h2-3,5,7-11,18,31H,4,6H2,1H3,(H2,25,29)(H,26,32)
InChIKeyCZEXAUZTGDVUEV-UHFFFAOYSA-N
XLogP2.51
TPSA127.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide (CID 142412326) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is CZEXAUZTGDVUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O3/c1-33-21-15(20(32)26-6-4-18(31)13-2-3-16(23)17(24)9-13)8-14(11-27-21)12-5-7-30-19(10-12)28-22(25)29-30/h2-3,5,7-11,18,31H,4,6H2,1H3,(H2,25,29)(H,26,32).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 454.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-difluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 142412326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).