[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate

C23H26N6O3 — CID 90107074

IUPAC[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C23H26N6O3/c1-27(2)23(31)32-18-13-28(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-24-22(26-29(19)20)25-21(30)17-10-11-17/h3-9,17-18H,10-14H2,1-2H3,(H,25,26,30)
InChIKeyMGZCGQMGWNFOKW-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.63
Rot. Bonds6

About [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate

[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate (PubChem CID 90107074) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate
PubChem CID90107074
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1
InChIInChI=1S/C23H26N6O3/c1-27(2)23(31)32-18-13-28(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-24-22(26-29(19)20)25-21(30)17-10-11-17/h3-9,17-18H,10-14H2,1-2H3,(H,25,26,30)
InChIKeyMGZCGQMGWNFOKW-UHFFFAOYSA-N
XLogP2.63
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

N-[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67331476
N-[5-[4-[[3-[acetyl(methyl)amino]pyrrolidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374654
N-[5-[4-[[3-(ethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702520
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
N-[5-[4-[(3-butylazetidin-1-yl)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 138702521
N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798484
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
[5-[4-[[3-[acetyl(methyl)amino]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106584
cyclopropane;[5-[4-[[3-(dimethylamino)azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90107650
N-[5-[4-[[(4R)-2-oxa-5-azabicyclo[2.2.0]hexan-5-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 70241748
N-[5-[4-[[methyl-[(4-pyridin-2-ylphenyl)methyl]amino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374720
N-[5-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 59589894

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate (CID 90107074) is [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate is CN(C)C(=O)OC1CN(Cc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)C1.
What is the InChIKey of [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate?
The InChIKey is MGZCGQMGWNFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-27(2)23(31)32-18-13-28(14-18)12-15-6-8-16(9-7-15)19-4-3-5-20-24-22(26-29(19)20)25-21(30)17-10-11-17/h3-9,17-18H,10-14H2,1-2H3,(H,25,26,30).
What are the key properties of [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate?
[1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate has a molecular weight of 434.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methyl]azetidin-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 90107074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).