[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone

C21H25N7O2 — CID 25051258

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)n3nnc4ccc(N5CCCC5)nc43)CC2)cc1
InChIInChI=1S/C21H25N7O2/c1-30-17-6-4-16(5-7-17)25-12-14-27(15-13-25)21(29)28-20-18(23-24-28)8-9-19(22-20)26-10-2-3-11-26/h4-9H,2-3,10-15H2,1H3
InChIKeyMGKOJBWLIJFIBJ-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.23
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone (PubChem CID 25051258) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone
PubChem CID25051258
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)n3nnc4ccc(N5CCCC5)nc43)CC2)cc1
InChIInChI=1S/C21H25N7O2/c1-30-17-6-4-16(5-7-17)25-12-14-27(15-13-25)21(29)28-20-18(23-24-28)8-9-19(22-20)26-10-2-3-11-26/h4-9H,2-3,10-15H2,1H3
InChIKeyMGKOJBWLIJFIBJ-UHFFFAOYSA-N
XLogP2.23
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-~{N}-[(3~{R})-1-pyridin-4-ylpyrrolidin-3-yl]-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 86278982
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
2,3-Dimethyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706803
2-Ethyl-3-methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706865
methyl 4-{4-[(1-methyl-1H-benzimidazol-2-yl)methyl]-1-piperazinyl}phenyl ether
CID 851991
3-(4-ethoxyphenyl)-N-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 71667612
7-[4-(2-Methoxyphenyl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 72548950
trans-(1R,3R)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
CID 90389598
cis-(1S,3R)-3-N-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]cyclopentane-1,3-diamine
CID 90389836
1-(4-Methoxyphenyl)-4-{3-methyl-3H-[1,2,3]triazolo[4,5-D]pyrimidin-7-YL}piperazine
CID 7192821
9-(1-Methoxybutyl)-3-(4-methoxyphenyl)-6-methyl-1,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 11361057
3-(4-Methoxyphenyl)-6-methyl-9-pentan-3-yl-1,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 11474047

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone (CID 25051258) is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone is COc1ccc(N2CCN(C(=O)n3nnc4ccc(N5CCCC5)nc43)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone?
The InChIKey is MGKOJBWLIJFIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-30-17-6-4-16(5-7-17)25-12-14-27(15-13-25)21(29)28-20-18(23-24-28)8-9-19(22-20)26-10-2-3-11-26/h4-9H,2-3,10-15H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone has a molecular weight of 407.48 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-pyrrolidin-1-yltriazolo[4,5-b]pyridin-3-yl)methanone is sourced from PubChem (CID 25051258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).