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

C23H29N5S — CID 164876215

IUPAC2-(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
SMILESCc1cc(-c2[nH]c3cc(C4CCNCC4(C)C)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H29N5S/c1-13(2)19-20(15-8-14(3)22-25-12-26-28(22)10-15)27-17-9-18(29-21(17)19)16-6-7-24-11-23(16,4)5/h8-10,12-13,16,24,27H,6-7,11H2,1-5H3
InChIKeyZNNJMXNBCVQKQK-UHFFFAOYSA-N
MW407.59 g/mol
LogP5.47
Rot. Bonds3

About 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

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 (PubChem CID 164876215) has the molecular formula C23H29N5S and a molecular weight of 407.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID164876215
Molecular FormulaC23H29N5S
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC Name2-(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
SMILESCc1cc(-c2[nH]c3cc(C4CCNCC4(C)C)sc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C23H29N5S/c1-13(2)19-20(15-8-14(3)22-25-12-26-28(22)10-15)27-17-9-18(29-21(17)19)16-6-7-24-11-23(16,4)5/h8-10,12-13,16,24,27H,6-7,11H2,1-5H3
InChIKeyZNNJMXNBCVQKQK-UHFFFAOYSA-N
XLogP5.47
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.59
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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-(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
[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
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
(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
N-[(3R,4R)-3-fluoropiperidin-4-yl]-N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876176
N-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(4-oxocyclohexyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876539
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
2-(4-methyl-6-piperazin-1-yl-3-pyridinyl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876500
[(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
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
[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2[nH]c3cc(C4CCNCC4(C)C)sc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is ZNNJMXNBCVQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S/c1-13(2)19-20(15-8-14(3)22-25-12-26-28(22)10-15)27-17-9-18(29-21(17)19)16-6-7-24-11-23(16,4)5/h8-10,12-13,16,24,27H,6-7,11H2,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 407.59 g/mol, XLogP of 5.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164876215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).