[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C42H28Cl2F2N6O2S2 — CID 146414431

IUPAC[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CC(c2ccc(C3c4cc(Cl)sc4CCN3C(=O)c3ccc4nccn4c3)c(F)c2)c2sc(Cl)cc2C1c1cccc(F)c1
InChIInChI=1S/C42H28Cl2F2N6O2S2/c43-34-18-29-33(55-34)10-13-51(41(53)25-5-8-36-47-11-14-49(36)20-25)39(29)28-7-4-23(17-32(28)46)31-22-52(42(54)26-6-9-37-48-12-15-50(37)21-26)38(24-2-1-3-27(45)16-24)30-19-35(44)56-40(30)31/h1-9,11-12,14-21,31,38-39H,10,13,22H2
InChIKeyQSMUEVWMFMGPEY-UHFFFAOYSA-N
MW821.76 g/mol
LogP9.86
Rot. Bonds5

About [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 146414431) has the molecular formula C42H28Cl2F2N6O2S2 and a molecular weight of 821.76 g/mol. Its IUPAC name is [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID146414431
Molecular FormulaC42H28Cl2F2N6O2S2
Molecular Weight821.76 g/mol
Exact Mass820.11
IUPAC Name[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESO=C(c1ccc2nccn2c1)N1CC(c2ccc(C3c4cc(Cl)sc4CCN3C(=O)c3ccc4nccn4c3)c(F)c2)c2sc(Cl)cc2C1c1cccc(F)c1
InChIInChI=1S/C42H28Cl2F2N6O2S2/c43-34-18-29-33(55-34)10-13-51(41(53)25-5-8-36-47-11-14-49(36)20-25)39(29)28-7-4-23(17-32(28)46)31-22-52(42(54)26-6-9-37-48-12-15-50(37)21-26)38(24-2-1-3-27(45)16-24)30-19-35(44)56-40(30)31/h1-9,11-12,14-21,31,38-39H,10,13,22H2
InChIKeyQSMUEVWMFMGPEY-UHFFFAOYSA-N
XLogP9.86
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.76
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 146414431) is [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is O=C(c1ccc2nccn2c1)N1CC(c2ccc(C3c4cc(Cl)sc4CCN3C(=O)c3ccc4nccn4c3)c(F)c2)c2sc(Cl)cc2C1c1cccc(F)c1.
What is the InChIKey of [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is QSMUEVWMFMGPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28Cl2F2N6O2S2/c43-34-18-29-33(55-34)10-13-51(41(53)25-5-8-36-47-11-14-49(36)20-25)39(29)28-7-4-23(17-32(28)46)31-22-52(42(54)26-6-9-37-48-12-15-50(37)21-26)38(24-2-1-3-27(45)16-24)30-19-35(44)56-40(30)31/h1-9,11-12,14-21,31,38-39H,10,13,22H2.
What are the key properties of [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 821.76 g/mol, XLogP of 9.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[4-[2-chloro-4-(3-fluorophenyl)-5-(imidazo[1,2-a]pyridine-6-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-7-yl]-2-fluorophenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 146414431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).