[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C25H25N5O2S — CID 15944697

IUPAC[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1
InChIInChI=1S/C25H25N5O2S/c1-32-21-4-2-3-20(15-21)29-11-13-30(14-12-29)24(31)19-7-5-18(6-8-19)17-33-25-27-22-9-10-26-16-23(22)28-25/h2-10,15-16H,11-14,17H2,1H3,(H,27,28)
InChIKeyAQNVWLFGOPORLP-UHFFFAOYSA-N
MW459.58 g/mol
LogP4.22
Rot. Bonds6

About [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 15944697) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID15944697
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1
InChIInChI=1S/C25H25N5O2S/c1-32-21-4-2-3-20(15-21)29-11-13-30(14-12-29)24(31)19-7-5-18(6-8-19)17-33-25-27-22-9-10-26-16-23(22)28-25/h2-10,15-16H,11-14,17H2,1H3,(H,27,28)
InChIKeyAQNVWLFGOPORLP-UHFFFAOYSA-N
XLogP4.22
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-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

Frequently Asked Questions

What is the IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 15944697) is [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1.
What is the InChIKey of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is AQNVWLFGOPORLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-32-21-4-2-3-20(15-21)29-11-13-30(14-12-29)24(31)19-7-5-18(6-8-19)17-33-25-27-22-9-10-26-16-23(22)28-25/h2-10,15-16H,11-14,17H2,1H3,(H,27,28).
What are the key properties of [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 459.58 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 15944697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).