[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate

C24H24N8O3 — CID 118305448

IUPAC[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate
SMILESCn1ncc(C(=O)N2CCC2)c1OC(=O)NCCc1nc(-c2ccccc2)nn1-c1cccnc1
InChIInChI=1S/C24H24N8O3/c1-30-23(19(16-27-30)22(33)31-13-6-14-31)35-24(34)26-12-10-20-28-21(17-7-3-2-4-8-17)29-32(20)18-9-5-11-25-15-18/h2-5,7-9,11,15-16H,6,10,12-14H2,1H3,(H,26,34)
InChIKeyAOCJJENZBSWKED-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.24
Rot. Bonds7

About [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate

[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate (PubChem CID 118305448) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate
PubChem CID118305448
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate
SMILESCn1ncc(C(=O)N2CCC2)c1OC(=O)NCCc1nc(-c2ccccc2)nn1-c1cccnc1
InChIInChI=1S/C24H24N8O3/c1-30-23(19(16-27-30)22(33)31-13-6-14-31)35-24(34)26-12-10-20-28-21(17-7-3-2-4-8-17)29-32(20)18-9-5-11-25-15-18/h2-5,7-9,11,15-16H,6,10,12-14H2,1H3,(H,26,34)
InChIKeyAOCJJENZBSWKED-UHFFFAOYSA-N
XLogP2.24
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 118305470
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate
CID 90197659
4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid;2-[5-phenyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanamine
CID 171924937
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414914
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]pyrazole-5-carboxamide;4-(azetidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 159743631
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 134035746
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
4-(azetidine-1-carbonyl)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288556

Frequently Asked Questions

What is the IUPAC name of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate?
The IUPAC name of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate (CID 118305448) is [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate.
What is the SMILES notation for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate?
The canonical SMILES for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate is Cn1ncc(C(=O)N2CCC2)c1OC(=O)NCCc1nc(-c2ccccc2)nn1-c1cccnc1.
What is the InChIKey of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate?
The InChIKey is AOCJJENZBSWKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-30-23(19(16-27-30)22(33)31-13-6-14-31)35-24(34)26-12-10-20-28-21(17-7-3-2-4-8-17)29-32(20)18-9-5-11-25-15-18/h2-5,7-9,11,15-16H,6,10,12-14H2,1H3,(H,26,34).
What are the key properties of [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate?
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate has a molecular weight of 472.51 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 118305448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).