[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

C30H38N6OS — CID 166052628

IUPAC[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
SMILESCc1c(C2CCC3(CC2)CN(C(=O)[C@@H]2CCCN2)C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C30H38N6OS/c1-17(2)23-24-19(4)26(38-28(24)34-25(23)21-12-18(3)27-32-16-33-36(27)13-21)20-7-9-30(10-8-20)14-35(15-30)29(37)22-6-5-11-31-22/h12-13,16-17,20,22,31,34H,5-11,14-15H2,1-4H3/t22-/m0/s1
InChIKeyUCGHUOIYAZFIQW-QFIPXVFZSA-N
MW530.74 g/mol
LogP5.92
Rot. Bonds4

About [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

[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 (PubChem CID 166052628) has the molecular formula C30H38N6OS and a molecular weight of 530.74 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID166052628
Molecular FormulaC30H38N6OS
Molecular Weight530.74 g/mol
Exact Mass530.28
IUPAC Name[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
SMILESCc1c(C2CCC3(CC2)CN(C(=O)[C@@H]2CCCN2)C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C30H38N6OS/c1-17(2)23-24-19(4)26(38-28(24)34-25(23)21-12-18(3)27-32-16-33-36(27)13-21)20-7-9-30(10-8-20)14-35(15-30)29(37)22-6-5-11-31-22/h12-13,16-17,20,22,31,34H,5-11,14-15H2,1-4H3/t22-/m0/s1
InChIKeyUCGHUOIYAZFIQW-QFIPXVFZSA-N
XLogP5.92
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.74
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

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Related Compounds

[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
2-(2-azaspiro[3.3]heptan-6-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
CID 166077170
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
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
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-(1-bicyclo[3.1.0]hexanyl)-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 167589201
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
[4-[3-methyl-4-propan-2-yl-5-(3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 167511289
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
5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-2-spiro[3.3]heptan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167679677

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1c(C2CCC3(CC2)CN(C(=O)[C@@H]2CCCN2)C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.
What is the InChIKey of [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?
The InChIKey is UCGHUOIYAZFIQW-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H38N6OS/c1-17(2)23-24-19(4)26(38-28(24)34-25(23)21-12-18(3)27-32-16-33-36(27)13-21)20-7-9-30(10-8-20)14-35(15-30)29(37)22-6-5-11-31-22/h12-13,16-17,20,22,31,34H,5-11,14-15H2,1-4H3/t22-/m0/s1.
What are the key properties of [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?
[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 has a molecular weight of 530.74 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 166052628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).