tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate

C25H30N6O3 — CID 59589819

IUPACtert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C25H30N6O3/c1-25(2,3)34-24(33)30-15-13-29(14-16-30)19-11-9-17(10-12-19)20-5-4-6-21-26-23(28-31(20)21)27-22(32)18-7-8-18/h4-6,9-12,18H,7-8,13-16H2,1-3H3,(H,27,28,32)
InChIKeyFMSLUHGCXUCMKA-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.80
Rot. Bonds4

About tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate

tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate (PubChem CID 59589819) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate
PubChem CID59589819
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Nametert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C25H30N6O3/c1-25(2,3)34-24(33)30-15-13-29(14-16-30)19-11-9-17(10-12-19)20-5-4-6-21-26-23(28-31(20)21)27-22(32)18-7-8-18/h4-6,9-12,18H,7-8,13-16H2,1-3H3,(H,27,28,32)
InChIKeyFMSLUHGCXUCMKA-UHFFFAOYSA-N
XLogP3.80
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]piperazine-1-carboxylate
CID 70832496
N-[5-[4-(aminomethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;cyclopropanecarboxylic acid
CID 172863039
N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 67330143
N-[5-[4-(piperidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374651
1-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoyl]piperidine-4-carboxamide
CID 67328746
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 70929649
N-[5-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 58374623
N-[5-[4-(3,4-dichlorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;ethane
CID 143929704
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N,N-dipropylbenzamide
CID 70822391
N-[5-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90392655
N-[5-(1,3-benzodioxol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597468
N-[5-[4-[1-[4-(azepane-1-carbonyl)phenyl]-2-(azepan-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 90106698

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate (CID 59589819) is tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate?
The InChIKey is FMSLUHGCXUCMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-25(2,3)34-24(33)30-15-13-29(14-16-30)19-11-9-17(10-12-19)20-5-4-6-21-26-23(28-31(20)21)27-22(32)18-7-8-18/h4-6,9-12,18H,7-8,13-16H2,1-3H3,(H,27,28,32).
What are the key properties of tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate?
tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate has a molecular weight of 462.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 59589819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).