[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol

C22H27N5OS — CID 166052403

IUPAC[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol
SMILESCc1cc(-c2[nH]c3sc(C4CCNCC4)c(CO)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H27N5OS/c1-12(2)17-18-16(10-28)20(14-4-6-23-7-5-14)29-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)9-15/h8-9,11-12,14,23,26,28H,4-7,10H2,1-3H3
InChIKeyUFJDAIANMKRAQH-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.33
Rot. Bonds4

About [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol

[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol (PubChem CID 166052403) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol
PubChem CID166052403
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol
SMILESCc1cc(-c2[nH]c3sc(C4CCNCC4)c(CO)c3c2C(C)C)cn2ncnc12
InChIInChI=1S/C22H27N5OS/c1-12(2)17-18-16(10-28)20(14-4-6-23-7-5-14)29-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)9-15/h8-9,11-12,14,23,26,28H,4-7,10H2,1-3H3
InChIKeyUFJDAIANMKRAQH-UHFFFAOYSA-N
XLogP4.33
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol?
The IUPAC name of [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol (CID 166052403) is [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol.
What is the SMILES notation for [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol?
The canonical SMILES for [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol is Cc1cc(-c2[nH]c3sc(C4CCNCC4)c(CO)c3c2C(C)C)cn2ncnc12.
What is the InChIKey of [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol?
The InChIKey is UFJDAIANMKRAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-12(2)17-18-16(10-28)20(14-4-6-23-7-5-14)29-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)9-15/h8-9,11-12,14,23,26,28H,4-7,10H2,1-3H3.
What are the key properties of [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol?
[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol has a molecular weight of 409.56 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-3-yl]methanol is sourced from PubChem (CID 166052403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).