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

C26H29N7S — CID 166052601

IUPAC3-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
SMILESCc1c(-c2ccc(N3CCNCC3)nc2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C26H29N7S/c1-15(2)21-22-17(4)24(18-5-6-20(28-12-18)32-9-7-27-8-10-32)34-26(22)31-23(21)19-11-16(3)25-29-14-30-33(25)13-19/h5-6,11-15,27,31H,7-10H2,1-4H3
InChIKeyIQKINPNBDUDYCA-UHFFFAOYSA-N
MW471.63 g/mol
LogP5.15
Rot. Bonds4

About 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

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 (PubChem CID 166052601) has the molecular formula C26H29N7S and a molecular weight of 471.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID166052601
Molecular FormulaC26H29N7S
Molecular Weight471.63 g/mol
Exact Mass471.22
IUPAC Name3-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
SMILESCc1c(-c2ccc(N3CCNCC3)nc2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C26H29N7S/c1-15(2)21-22-17(4)24(18-5-6-20(28-12-18)32-9-7-27-8-10-32)34-26(22)31-23(21)19-11-16(3)25-29-14-30-33(25)13-19/h5-6,11-15,27,31H,7-10H2,1-4H3
InChIKeyIQKINPNBDUDYCA-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 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 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-(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
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-(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
[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
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
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
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
[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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccc(N3CCNCC3)nc2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.
What is the InChIKey of 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?
The InChIKey is IQKINPNBDUDYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7S/c1-15(2)21-22-17(4)24(18-5-6-20(28-12-18)32-9-7-27-8-10-32)34-26(22)31-23(21)19-11-16(3)25-29-14-30-33(25)13-19/h5-6,11-15,27,31H,7-10H2,1-4H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 166052601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).