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

C26H29N7S — CID 164876500

IUPAC2-(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
SMILESCc1cc(N2CCNCC2)ncc1-c1cc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2s1
InChIInChI=1S/C26H29N7S/c1-15(2)23-24(18-9-17(4)26-29-14-30-33(26)13-18)31-20-11-21(34-25(20)23)19-12-28-22(10-16(19)3)32-7-5-27-6-8-32/h9-15,27,31H,5-8H2,1-4H3
InChIKeyWLLXMJSFJSYHAZ-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.15
Rot. Bonds4

About 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

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 (PubChem CID 164876500) has the molecular formula C26H29N7S and a molecular weight of 471.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID164876500
Molecular FormulaC26H29N7S
Molecular Weight471.63 g/mol
Exact Mass471.22
IUPAC Name2-(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
SMILESCc1cc(N2CCNCC2)ncc1-c1cc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2s1
InChIInChI=1S/C26H29N7S/c1-15(2)23-24(18-9-17(4)26-29-14-30-33(26)13-18)31-20-11-21(34-25(20)23)19-12-28-22(10-16(19)3)32-7-5-27-6-8-32/h9-15,27,31H,5-8H2,1-4H3
InChIKeyWLLXMJSFJSYHAZ-UHFFFAOYSA-N
XLogP5.15
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.63
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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
3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(6-piperazin-1-yl-3-pyridinyl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 166052601
[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
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
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
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
(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
[(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-[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
[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]-piperazin-1-ylmethanone
CID 166052727
[(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
[(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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2CCNCC2)ncc1-c1cc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2s1.
What is the InChIKey of 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?
The InChIKey is WLLXMJSFJSYHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7S/c1-15(2)23-24(18-9-17(4)26-29-14-30-33(26)13-18)31-20-11-21(34-25(20)23)19-12-28-22(10-16(19)3)32-7-5-27-6-8-32/h9-15,27,31H,5-8H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 471.63 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164876500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).