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

C21H24FN5O3S — CID 59320156

IUPACN-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-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)NS(C)(=O)=O)nnc2c1
InChIInChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28)
InChIKeyGLBGHBRMBGOVTM-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.52
Rot. Bonds6

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

N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 59320156) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID59320156
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-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)NS(C)(=O)=O)nnc2c1
InChIInChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28)
InChIKeyGLBGHBRMBGOVTM-UHFFFAOYSA-N
XLogP2.52
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-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-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 59320156) is N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-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-(methanesulfonamido)propan-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-(methanesulfonamido)propan-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)NS(C)(=O)=O)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is GLBGHBRMBGOVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-12-16(9-14(10-17(12)22)19(28)23-15-5-6-15)13-7-8-27-18(11-13)24-25-20(27)21(2,3)26-31(4,29)30/h7-11,15,26H,5-6H2,1-4H3,(H,23,28).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[3-[2-(methanesulfonamido)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 59320156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).