N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide

C20H19F3N4O — CID 25060092

IUPACN-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)C)nnc2c1F
InChIInChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28)
InChIKeyCISFVKKPZULDQC-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.14
Rot. Bonds4

About N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide

N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide (PubChem CID 25060092) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
PubChem CID25060092
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC NameN-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)C)nnc2c1F
InChIInChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28)
InChIKeyCISFVKKPZULDQC-UHFFFAOYSA-N
XLogP4.14
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide (CID 25060092) is N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)C)nnc2c1F.
What is the InChIKey of N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide?
The InChIKey is CISFVKKPZULDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-9(2)18-25-26-19-17(23)16(15(22)8-27(18)19)13-6-11(7-14(21)10(13)3)20(28)24-12-4-5-12/h6-9,12H,4-5H2,1-3H3,(H,24,28).
What are the key properties of N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide?
N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide has a molecular weight of 388.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(6,8-difluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 25060092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).