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

C23H20ClF2N5O — CID 163265712

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(F)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF2N5O/c1-13-2-7-17(15-9-11-31-19(12-15)29-23(27)30-31)21(26)20(13)22(32)28-10-8-18(25)14-3-5-16(24)6-4-14/h2-7,9,11-12,18H,8,10H2,1H3,(H2,27,30)(H,28,32)
InChIKeyYQWFKLQPKYCJDE-UHFFFAOYSA-N
MW455.90 g/mol
LogP4.91
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide (PubChem CID 163265712) has the molecular formula C23H20ClF2N5O and a molecular weight of 455.90 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide
PubChem CID163265712
Molecular FormulaC23H20ClF2N5O
Molecular Weight455.90 g/mol
Exact Mass455.13
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(F)c1ccc(Cl)cc1
InChIInChI=1S/C23H20ClF2N5O/c1-13-2-7-17(15-9-11-31-19(12-15)29-23(27)30-31)21(26)20(13)22(32)28-10-8-18(25)14-3-5-16(24)6-4-14/h2-7,9,11-12,18H,8,10H2,1H3,(H2,27,30)(H,28,32)
InChIKeyYQWFKLQPKYCJDE-UHFFFAOYSA-N
XLogP4.91
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide (CID 163265712) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-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-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC(F)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide?
The InChIKey is YQWFKLQPKYCJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N5O/c1-13-2-7-17(15-9-11-31-19(12-15)29-23(27)30-31)21(26)20(13)22(32)28-10-8-18(25)14-3-5-16(24)6-4-14/h2-7,9,11-12,18H,8,10H2,1H3,(H2,27,30)(H,28,32).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide has a molecular weight of 455.90 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(4-chlorophenyl)-3-fluoropropyl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 163265712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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