2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C27H31N3S — CID 150976112

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C(C)C)CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H31N3S/c1-16(2)26-22-13-19(24-14-20-9-11-30(17(3)4)15-25(20)31-24)6-7-23(22)29-27(26)21-8-10-28-18(5)12-21/h6-8,10,12-14,16-17,29H,9,11,15H2,1-5H3
InChIKeyLPDAYHIYUQTPMS-UHFFFAOYSA-N
MW429.63 g/mol
LogP7.16
Rot. Bonds4

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 150976112) has the molecular formula C27H31N3S and a molecular weight of 429.63 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID150976112
Molecular FormulaC27H31N3S
Molecular Weight429.63 g/mol
Exact Mass429.22
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C(C)C)CC5)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H31N3S/c1-16(2)26-22-13-19(24-14-20-9-11-30(17(3)4)15-25(20)31-24)6-7-23(22)29-27(26)21-8-10-28-18(5)12-21/h6-8,10,12-14,16-17,29H,9,11,15H2,1-5H3
InChIKeyLPDAYHIYUQTPMS-UHFFFAOYSA-N
XLogP7.16
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.63
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 150976112) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is Cc1cc(-c2[nH]c3ccc(-c4cc5c(s4)CN(C(C)C)CC5)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is LPDAYHIYUQTPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3S/c1-16(2)26-22-13-19(24-14-20-9-11-30(17(3)4)15-25(20)31-24)6-7-23(22)29-27(26)21-8-10-28-18(5)12-21/h6-8,10,12-14,16-17,29H,9,11,15H2,1-5H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 429.63 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 150976112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).