[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C18H18N4O2S — CID 99940403

IUPAC[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)s1
InChIInChI=1S/C18H18N4O2S/c1-24-10-13-2-3-15(25-13)18(23)22-9-6-14-16(21-11-20-14)17(22)12-4-7-19-8-5-12/h2-5,7-8,11,17H,6,9-10H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyBBTKTSDXNUWTIG-QGZVFWFLSA-N
MW354.44 g/mol
LogP2.80
Rot. Bonds4

About [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 99940403) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID99940403
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOCc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)s1
InChIInChI=1S/C18H18N4O2S/c1-24-10-13-2-3-15(25-13)18(23)22-9-6-14-16(21-11-20-14)17(22)12-4-7-19-8-5-12/h2-5,7-8,11,17H,6,9-10H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyBBTKTSDXNUWTIG-QGZVFWFLSA-N
XLogP2.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-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 [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 99940403) is [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COCc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2c2ccncc2)s1.
What is the InChIKey of [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is BBTKTSDXNUWTIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-10-13-2-3-15(25-13)18(23)22-9-6-14-16(21-11-20-14)17(22)12-4-7-19-8-5-12/h2-5,7-8,11,17H,6,9-10H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 354.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)thiophen-2-yl]-[(4R)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 99940403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).