2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole

C23H29N5S — CID 174351284

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
SMILESCC1=CC(c2[nH]c3cc(C4CC5CCC(C4)N5)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C23H29N5S/c1-12(2)20-21(15-6-13(3)23-24-11-25-28(23)10-15)27-18-9-19(29-22(18)20)14-7-16-4-5-17(8-14)26-16/h6,9-12,14,16-17,23,26-27H,4-5,7-8H2,1-3H3,(H,24,25)
InChIKeyPGGJEOATGJAPBZ-UHFFFAOYSA-N
MW407.59 g/mol
LogP4.83
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole

2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole (PubChem CID 174351284) has the molecular formula C23H29N5S and a molecular weight of 407.59 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
PubChem CID174351284
Molecular FormulaC23H29N5S
Molecular Weight407.59 g/mol
Exact Mass407.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
SMILESCC1=CC(c2[nH]c3cc(C4CC5CCC(C4)N5)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C23H29N5S/c1-12(2)20-21(15-6-13(3)23-24-11-25-28(23)10-15)27-18-9-19(29-22(18)20)14-7-16-4-5-17(8-14)26-16/h6,9-12,14,16-17,23,26-27H,4-5,7-8H2,1-3H3,(H,24,25)
InChIKeyPGGJEOATGJAPBZ-UHFFFAOYSA-N
XLogP4.83
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.59
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone
CID 174353165
(3,3-dimethylpiperazin-1-yl)-[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 174347580
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
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
3,6-diazabicyclo[3.1.1]heptan-3-yl-[5-(2,6-dimethyl-4-pyridinyl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876367
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
N'-[5-[2-(2-ethyl-2-azaspiro[3.4]octan-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-5-yl]-3-methyl-2-pyridinyl]methanimidamide
CID 164876372
6-[5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 137472581
[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'-methyl-N-[3-methyl-5-[6-propan-2-yl-2-[2-(2-pyrrolidin-1-ylacetyl)-2-azaspiro[3.5]nonan-7-yl]-4H-thieno[3,2-b]pyrrol-5-yl]-2-pyridinyl]methanimidamide
CID 174351634
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

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole (CID 174351284) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole is CC1=CC(c2[nH]c3cc(C4CC5CCC(C4)N5)sc3c2C(C)C)=CN2NC=NC12.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
The InChIKey is PGGJEOATGJAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5S/c1-12(2)20-21(15-6-13(3)23-24-11-25-28(23)10-15)27-18-9-19(29-22(18)20)14-7-16-4-5-17(8-14)26-16/h6,9-12,14,16-17,23,26-27H,4-5,7-8H2,1-3H3,(H,24,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole?
2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-(8-methyl-3,8a-dihydro-[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 174351284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).