[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

C27H28N4O2S2 — CID 146569236

IUPAC[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESNCC1OC(CNCC2OCCc3sc(-c4ccncc4)cc32)Cc2sc(-c3ccncc3)cc21
InChIInChI=1S/C27H28N4O2S2/c28-14-22-20-12-26(18-3-8-30-9-4-18)35-27(20)11-19(33-22)15-31-16-23-21-13-25(17-1-6-29-7-2-17)34-24(21)5-10-32-23/h1-4,6-9,12-13,19,22-23,31H,5,10-11,14-16,28H2
InChIKeyDDEZNAMWDQSCHV-UHFFFAOYSA-N
MW504.68 g/mol
LogP4.78
Rot. Bonds7

About [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine

[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (PubChem CID 146569236) has the molecular formula C27H28N4O2S2 and a molecular weight of 504.68 g/mol. Its IUPAC name is [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.

Molecular Properties

Compound Name[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
PubChem CID146569236
Molecular FormulaC27H28N4O2S2
Molecular Weight504.68 g/mol
Exact Mass504.17
IUPAC Name[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
SMILESNCC1OC(CNCC2OCCc3sc(-c4ccncc4)cc32)Cc2sc(-c3ccncc3)cc21
InChIInChI=1S/C27H28N4O2S2/c28-14-22-20-12-26(18-3-8-30-9-4-18)35-27(20)11-19(33-22)15-31-16-23-21-13-25(17-1-6-29-7-2-17)34-24(21)5-10-32-23/h1-4,6-9,12-13,19,22-23,31H,5,10-11,14-16,28H2
InChIKeyDDEZNAMWDQSCHV-UHFFFAOYSA-N
XLogP4.78
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The IUPAC name of [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine (CID 146569236) is [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine.
What is the SMILES notation for [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The canonical SMILES for [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is NCC1OC(CNCC2OCCc3sc(-c4ccncc4)cc32)Cc2sc(-c3ccncc3)cc21.
What is the InChIKey of [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
The InChIKey is DDEZNAMWDQSCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S2/c28-14-22-20-12-26(18-3-8-30-9-4-18)35-27(20)11-19(33-22)15-31-16-23-21-13-25(17-1-6-29-7-2-17)34-24(21)5-10-32-23/h1-4,6-9,12-13,19,22-23,31H,5,10-11,14-16,28H2.
What are the key properties of [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine?
[2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine has a molecular weight of 504.68 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyridin-4-yl-6-[[(2-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methylamino]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine is sourced from PubChem (CID 146569236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).