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

C24H22ClF2N5O2 — CID 166596499

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@@H](CF)C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClF2N5O2/c1-13-2-7-18(15-8-9-32-20(10-15)30-24(28)31-32)22(27)21(13)23(34)29-17(12-26)11-19(33)14-3-5-16(25)6-4-14/h2-10,17,19,33H,11-12H2,1H3,(H2,28,31)(H,29,34)/t17-,19-/m1/s1
InChIKeyASFRLTODYTWPAU-IEBWSBKVSA-N
MW485.92 g/mol
LogP4.27
Rot. Bonds7

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

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide (PubChem CID 166596499) has the molecular formula C24H22ClF2N5O2 and a molecular weight of 485.92 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide
PubChem CID166596499
Molecular FormulaC24H22ClF2N5O2
Molecular Weight485.92 g/mol
Exact Mass485.14
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide
SMILESCc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@@H](CF)C[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C24H22ClF2N5O2/c1-13-2-7-18(15-8-9-32-20(10-15)30-24(28)31-32)22(27)21(13)23(34)29-17(12-26)11-19(33)14-3-5-16(25)6-4-14/h2-10,17,19,33H,11-12H2,1H3,(H2,28,31)(H,29,34)/t17-,19-/m1/s1
InChIKeyASFRLTODYTWPAU-IEBWSBKVSA-N
XLogP4.27
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide (CID 166596499) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide is Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)N[C@@H](CF)C[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide?
The InChIKey is ASFRLTODYTWPAU-IEBWSBKVSA-N. The full InChI is InChI=1S/C24H22ClF2N5O2/c1-13-2-7-18(15-8-9-32-20(10-15)30-24(28)31-32)22(27)21(13)23(34)29-17(12-26)11-19(33)14-3-5-16(25)6-4-14/h2-10,17,19,33H,11-12H2,1H3,(H2,28,31)(H,29,34)/t17-,19-/m1/s1.
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide has a molecular weight of 485.92 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-[(2R,4R)-4-(4-chlorophenyl)-1-fluoro-4-hydroxybutan-2-yl]-2-fluoro-6-methylbenzamide is sourced from PubChem (CID 166596499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).