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

C22H26FN5O — CID 59320160

IUPACN-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N(C)C)nnc2c1
InChIInChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29)
InChIKeyUEPHCZUDCIWXFU-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.53
Rot. Bonds5

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

N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide (PubChem CID 59320160) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide
PubChem CID59320160
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC NameN-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(C)(C)N(C)C)nnc2c1
InChIInChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29)
InChIKeyUEPHCZUDCIWXFU-UHFFFAOYSA-N
XLogP3.53
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide (CID 59320160) is N-cyclopropyl-3-[3-[2-(dimethylamino)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-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-[2-(dimethylamino)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-c1ccn2c(C(C)(C)N(C)C)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide?
The InChIKey is UEPHCZUDCIWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-13-17(10-15(11-18(13)23)20(29)24-16-6-7-16)14-8-9-28-19(12-14)25-26-21(28)22(2,3)27(4)5/h8-12,16H,6-7H2,1-5H3,(H,24,29).
What are the key properties of N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide?
N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[2-(dimethylamino)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 59320160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).