3-(methoxymethyl)-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]pyrrole

C23H29N5OS — CID 166052660

IUPAC3-(methoxymethyl)-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]pyrrole
SMILESCOCc1c(C2CCNCC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C23H29N5OS/c1-13(2)18-19-17(11-29-4)21(15-5-7-24-8-6-15)30-23(19)27-20(18)16-9-14(3)22-25-12-26-28(22)10-16/h9-10,12-13,15,24,27H,5-8,11H2,1-4H3
InChIKeyDIEAHUKGTJVWHD-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.98
Rot. Bonds5

About 3-(methoxymethyl)-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]pyrrole

3-(methoxymethyl)-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]pyrrole (PubChem CID 166052660) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is 3-(methoxymethyl)-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]pyrrole.

Molecular Properties

Compound Name3-(methoxymethyl)-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]pyrrole
PubChem CID166052660
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name3-(methoxymethyl)-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]pyrrole
SMILESCOCc1c(C2CCNCC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C23H29N5OS/c1-13(2)18-19-17(11-29-4)21(15-5-7-24-8-6-15)30-23(19)27-20(18)16-9-14(3)22-25-12-26-28(22)10-16/h9-10,12-13,15,24,27H,5-8,11H2,1-4H3
InChIKeyDIEAHUKGTJVWHD-UHFFFAOYSA-N
XLogP4.98
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(methoxymethyl)-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]pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-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]pyrrole?
The IUPAC name of 3-(methoxymethyl)-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]pyrrole (CID 166052660) is 3-(methoxymethyl)-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]pyrrole.
What is the SMILES notation for 3-(methoxymethyl)-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]pyrrole?
The canonical SMILES for 3-(methoxymethyl)-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]pyrrole is COCc1c(C2CCNCC2)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.
What is the InChIKey of 3-(methoxymethyl)-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]pyrrole?
The InChIKey is DIEAHUKGTJVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-13(2)18-19-17(11-29-4)21(15-5-7-24-8-6-15)30-23(19)27-20(18)16-9-14(3)22-25-12-26-28(22)10-16/h9-10,12-13,15,24,27H,5-8,11H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-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]pyrrole?
3-(methoxymethyl)-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]pyrrole has a molecular weight of 423.59 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-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]pyrrole is sourced from PubChem (CID 166052660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).