5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

C32H42N4O2S — CID 121315232

IUPAC5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(NC)CC1
InChIInChI=1S/C32H42N4O2S/c1-6-27(35-15-12-25(33-5)13-16-35)30-23(4)29-28(39-30)14-17-36(32(29)37)19-26-21(2)18-22(3)34-31(26)38-20-24-10-8-7-9-11-24/h7-11,18,25,27,33H,6,12-17,19-20H2,1-5H3
InChIKeyHAIMAZFNTDTLKL-UHFFFAOYSA-N
MW546.78 g/mol
LogP5.98
Rot. Bonds9

About 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one (PubChem CID 121315232) has the molecular formula C32H42N4O2S and a molecular weight of 546.78 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
PubChem CID121315232
Molecular FormulaC32H42N4O2S
Molecular Weight546.78 g/mol
Exact Mass546.30
IUPAC Name5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one
SMILESCCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(NC)CC1
InChIInChI=1S/C32H42N4O2S/c1-6-27(35-15-12-25(33-5)13-16-35)30-23(4)29-28(39-30)14-17-36(32(29)37)19-26-21(2)18-22(3)34-31(26)38-20-24-10-8-7-9-11-24/h7-11,18,25,27,33H,6,12-17,19-20H2,1-5H3
InChIKeyHAIMAZFNTDTLKL-UHFFFAOYSA-N
XLogP5.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.78
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one 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-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one (CID 121315232) is 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one is CCC(c1sc2c(c1C)C(=O)N(Cc1c(C)cc(C)nc1OCc1ccccc1)CC2)N1CCC(NC)CC1.
What is the InChIKey of 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one?
The InChIKey is HAIMAZFNTDTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2S/c1-6-27(35-15-12-25(33-5)13-16-35)30-23(4)29-28(39-30)14-17-36(32(29)37)19-26-21(2)18-22(3)34-31(26)38-20-24-10-8-7-9-11-24/h7-11,18,25,27,33H,6,12-17,19-20H2,1-5H3.
What are the key properties of 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one?
5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one has a molecular weight of 546.78 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)methyl]-3-methyl-2-[1-[4-(methylamino)piperidin-1-yl]propyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 121315232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).