1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

C24H29N5O — CID 58374719

IUPAC1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCN(C)CC1CN(Cc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C24H29N5O/c1-27(2)13-18-15-28(16-18)14-17-6-8-19(9-7-17)21-4-3-5-24-25-23(26-29(21)24)12-22(30)20-10-11-20/h3-9,18,20H,10-16H2,1-2H3
InChIKeyJIFFRRROBKUDCO-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.91
Rot. Bonds8

About 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone

1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (PubChem CID 58374719) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
PubChem CID58374719
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone
SMILESCN(C)CC1CN(Cc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C24H29N5O/c1-27(2)13-18-15-28(16-18)14-17-6-8-19(9-7-17)21-4-3-5-24-25-23(26-29(21)24)12-22(30)20-10-11-20/h3-9,18,20H,10-16H2,1-2H3
InChIKeyJIFFRRROBKUDCO-UHFFFAOYSA-N
XLogP2.91
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone (CID 58374719) is 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is CN(C)CC1CN(Cc2ccc(-c3cccc4nc(CC(=O)C5CC5)nn34)cc2)C1.
What is the InChIKey of 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
The InChIKey is JIFFRRROBKUDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-27(2)13-18-15-28(16-18)14-17-6-8-19(9-7-17)21-4-3-5-24-25-23(26-29(21)24)12-22(30)20-10-11-20/h3-9,18,20H,10-16H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone?
1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone has a molecular weight of 403.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[5-[4-[[3-[(dimethylamino)methyl]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanone is sourced from PubChem (CID 58374719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).