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

C20H21FN4O2 — CID 25060876

IUPACN-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)O)nnc2c1
InChIInChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26)
InChIKeyVASDBJLAJXMNPY-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.96
Rot. Bonds4

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

N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 25060876) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID25060876
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)O)nnc2c1
InChIInChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26)
InChIKeyVASDBJLAJXMNPY-UHFFFAOYSA-N
XLogP2.96
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
CID 25060878
3-{6-[2-(2,4-Difluorophenyl)ethyl][1,2,4]triazolo[4,3-A]pyridin-3-Yl}-4-Methylbenzamide
CID 11632560
3-(3-Tert-Butyl[1,2,4]triazolo[4,3-A]pyridin-7-Yl)-N-Cyclopropyl-4-Methylbenzamide
CID 25059320
3-[3-(3-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 24896573
Benzamide, N-cyclopropyl-4-[6-[difluoro(3-fluorophenyl)methyl]-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methyl-
CID 71735119
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 24959046
4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(2-(dimethylamino)ethyl)-N-methylbenzamide
CID 24959409
N-cyclopropyl-4-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
CID 25054177
3-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25054452
3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 25054453
3-[3-(3-Chloro-4-pyridinyl)-1,2,4-triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
CID 25054960
3-[3-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-4-methylbenzamide
CID 25057809

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 25060876) is N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)O)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is VASDBJLAJXMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11-15(8-13(9-16(11)21)18(26)22-14-4-5-14)12-6-7-25-17(10-12)23-24-19(25)20(2,3)27/h6-10,14,27H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[3-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 25060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).