3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

C22H20ClFN6O2 — CID 164740584

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(Cl)cn1
InChIInChI=1S/C22H20ClFN6O2/c1-12-2-4-15(13-7-9-30-18(10-13)28-22(25)29-30)20(24)19(12)21(32)26-8-6-17(31)16-5-3-14(23)11-27-16/h2-5,7,9-11,17,31H,6,8H2,1H3,(H2,25,29)(H,26,32)
InChIKeyZJEITEDIBHPUSP-UHFFFAOYSA-N
MW454.89 g/mol
LogP3.33
Rot. Bonds6

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (PubChem CID 164740584) has the molecular formula C22H20ClFN6O2 and a molecular weight of 454.89 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
PubChem CID164740584
Molecular FormulaC22H20ClFN6O2
Molecular Weight454.89 g/mol
Exact Mass454.13
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(Cl)cn1
InChIInChI=1S/C22H20ClFN6O2/c1-12-2-4-15(13-7-9-30-18(10-13)28-22(25)29-30)20(24)19(12)21(32)26-8-6-17(31)16-5-3-14(23)11-27-16/h2-5,7,9-11,17,31H,6,8H2,1H3,(H2,25,29)(H,26,32)
InChIKeyZJEITEDIBHPUSP-UHFFFAOYSA-N
XLogP3.33
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.89
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide with MolForge

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Related Compounds

2-[1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 146634280
2-[1-(3-chlorophenyl)-2-hydroxyethyl]-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 146634737
WO2022086828, Example 274
CID 163265520
WO2022086828, Example 2
CID 163265561
WO2022086828, Example 108
CID 163265626
WO2022086828, Example 298
CID 163265631
WO2022086828, Example 212
CID 163265650
WO2022086828, Example 120
CID 163265656
WO2022086828, Example 53
CID 163265671
WO2022086828, Example 227
CID 163265674
WO2022086828, Example 315
CID 163265758
WO2022086828, Example 30
CID 163265765

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide (CID 164740584) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(O)c1ccc(Cl)cn1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is ZJEITEDIBHPUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN6O2/c1-12-2-4-15(13-7-9-30-18(10-13)28-22(25)29-30)20(24)19(12)21(32)26-8-6-17(31)16-5-3-14(23)11-27-16/h2-5,7,9-11,17,31H,6,8H2,1H3,(H2,25,29)(H,26,32).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 454.89 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(5-chloro-2-pyridinyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 164740584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).