2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole

C24H29N5S — CID 171742443

IUPAC2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
SMILESCc1cc(-c2[nH]c3cc(C4CC5CCCC(C4)N5)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H29N5S/c1-13(2)21-22(16-7-14(3)24-25-12-26-29(24)11-16)28-19-10-20(30-23(19)21)15-8-17-5-4-6-18(9-15)27-17/h7,10-13,15,17-18,27-28H,4-6,8-9H2,1-3H3
InChIKeyCNRLJKJKJMCUFF-UHFFFAOYSA-N
MW419.60 g/mol
LogP5.76
Rot. Bonds3

About 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole

2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole (PubChem CID 171742443) has the molecular formula C24H29N5S and a molecular weight of 419.60 g/mol. Its IUPAC name is 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
PubChem CID171742443
Molecular FormulaC24H29N5S
Molecular Weight419.60 g/mol
Exact Mass419.21
IUPAC Name2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
SMILESCc1cc(-c2[nH]c3cc(C4CC5CCCC(C4)N5)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C24H29N5S/c1-13(2)21-22(16-7-14(3)24-25-12-26-29(24)11-16)28-19-10-20(30-23(19)21)15-8-17-5-4-6-18(9-15)27-17/h7,10-13,15,17-18,27-28H,4-6,8-9H2,1-3H3
InChIKeyCNRLJKJKJMCUFF-UHFFFAOYSA-N
XLogP5.76
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.60
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole with MolForge

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Related Compounds

5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876114
2-(3,3-dimethylpiperidin-4-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876215
2-(7-azaspiro[3.5]nonan-2-yl)-5-[8-methyl-1-[7-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-9-azabicyclo[3.3.1]nonan-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-1-ium-6-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876376
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
[2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]cyclopropyl]-piperazin-1-ylmethanone
CID 171742458
(4-hydroxypiperidin-1-yl)-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876603
2-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876349
[(2S,3S)-3-amino-2-methylpiperidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876415
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[(3R)-piperidin-3-yl]-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876404
[(3S)-3-methylpiperazin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanol
CID 164876165
N-cyclopropyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876046
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876637

Frequently Asked Questions

What is the IUPAC name of 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
The IUPAC name of 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole (CID 171742443) is 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole.
What is the SMILES notation for 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
The canonical SMILES for 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole is Cc1cc(-c2[nH]c3cc(C4CC5CCCC(C4)N5)sc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
The InChIKey is CNRLJKJKJMCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S/c1-13(2)21-22(16-7-14(3)24-25-12-26-29(24)11-16)28-19-10-20(30-23(19)21)15-8-17-5-4-6-18(9-15)27-17/h7,10-13,15,17-18,27-28H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole has a molecular weight of 419.60 g/mol, XLogP of 5.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole is sourced from PubChem (CID 171742443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).