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

C25H23F2N5O — CID 163265536

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

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23F2N5O/c1-15-2-7-19(16-8-13-32-20(14-16)30-24(28)31-32)22(27)21(15)23(33)29-12-11-25(9-10-25)17-3-5-18(26)6-4-17/h2-8,13-14H,9-12H2,1H3,(H2,28,31)(H,29,33)
InChIKeyDJVBTTBJGKUASK-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.42
Rot. Bonds6

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide (PubChem CID 163265536) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide
PubChem CID163265536
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H23F2N5O/c1-15-2-7-19(16-8-13-32-20(14-16)30-24(28)31-32)22(27)21(15)23(33)29-12-11-25(9-10-25)17-3-5-18(26)6-4-17/h2-8,13-14H,9-12H2,1H3,(H2,28,31)(H,29,33)
InChIKeyDJVBTTBJGKUASK-UHFFFAOYSA-N
XLogP4.42
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.42
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)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide (CID 163265536) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)NCCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide?
The InChIKey is DJVBTTBJGKUASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-15-2-7-19(16-8-13-32-20(14-16)30-24(28)31-32)22(27)21(15)23(33)29-12-11-25(9-10-25)17-3-5-18(26)6-4-17/h2-8,13-14H,9-12H2,1H3,(H2,28,31)(H,29,33).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide has a molecular weight of 447.49 g/mol, XLogP of 4.42, 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)-2-fluoro-N-[2-[1-(4-fluorophenyl)cyclopropyl]ethyl]-6-methylbenzamide is sourced from PubChem (CID 163265536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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