1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one

C24H30N6OS — CID 167545670

IUPAC1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(c2sc3[nH]c(-c4cc(C)c5nnnn5c4)c(C(C)C)c3c2C)CC1
InChIInChI=1S/C24H30N6OS/c1-13(2)19-20-16(5)22(17-6-8-29(9-7-17)11-15(4)31)32-24(20)25-21(19)18-10-14(3)23-26-27-28-30(23)12-18/h10,12-13,17,25H,6-9,11H2,1-5H3
InChIKeyPLPMWRKBMCOPLP-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.84
Rot. Bonds5

About 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one

1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one (PubChem CID 167545670) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one
PubChem CID167545670
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC Name1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(c2sc3[nH]c(-c4cc(C)c5nnnn5c4)c(C(C)C)c3c2C)CC1
InChIInChI=1S/C24H30N6OS/c1-13(2)19-20-16(5)22(17-6-8-29(9-7-17)11-15(4)31)32-24(20)25-21(19)18-10-14(3)23-26-27-28-30(23)12-18/h10,12-13,17,25H,6-9,11H2,1-5H3
InChIKeyPLPMWRKBMCOPLP-UHFFFAOYSA-N
XLogP4.84
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one with MolForge

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Related Compounds

2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167553716
2-[(3R)-3-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]pyrrolidin-1-yl]acetamide
CID 166052376
1-[2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-2-one
CID 167605528
2-[4-[3-(difluoromethyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]acetamide
CID 166052472
[4-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]-piperazin-1-ylmethanone
CID 166052684
2-cyclohexyl-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167700981
4-[4-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]thiane 1,1-dioxide
CID 166052629
2-[(5S)-5-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.2]octan-2-yl]acetamide
CID 166077095
1-[(4R,5R)-5-[5-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-one
CID 167708624
2-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;hydrochloride
CID 166052702
ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate
CID 166077072
[7-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azaspiro[3.5]nonan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 166052628

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one (CID 167545670) is 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one is CC(=O)CN1CCC(c2sc3[nH]c(-c4cc(C)c5nnnn5c4)c(C(C)C)c3c2C)CC1.
What is the InChIKey of 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one?
The InChIKey is PLPMWRKBMCOPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-13(2)19-20-16(5)22(17-6-8-29(9-7-17)11-15(4)31)32-24(20)25-21(19)18-10-14(3)23-26-27-28-30(23)12-18/h10,12-13,17,25H,6-9,11H2,1-5H3.
What are the key properties of 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one?
1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one has a molecular weight of 450.61 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 167545670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).