4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine

C27H32FN5OS — CID 68795970

IUPAC4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine
SMILESFc1cc(-c2cc3c(s2)CN(CN2CCC4NCCC4C2)C=C3N2CCOCC2)c2cc[nH]c2c1
InChIInChI=1S/C27H32FN5OS/c28-19-11-21(20-2-5-30-24(20)12-19)26-13-22-25(33-7-9-34-10-8-33)15-32(16-27(22)35-26)17-31-6-3-23-18(14-31)1-4-29-23/h2,5,11-13,15,18,23,29-30H,1,3-4,6-10,14,16-17H2
InChIKeyQPVJGOKIJAOXEY-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.12
Rot. Bonds4

About 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine

4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine (PubChem CID 68795970) has the molecular formula C27H32FN5OS and a molecular weight of 493.65 g/mol. Its IUPAC name is 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine
PubChem CID68795970
Molecular FormulaC27H32FN5OS
Molecular Weight493.65 g/mol
Exact Mass493.23
IUPAC Name4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine
SMILESFc1cc(-c2cc3c(s2)CN(CN2CCC4NCCC4C2)C=C3N2CCOCC2)c2cc[nH]c2c1
InChIInChI=1S/C27H32FN5OS/c28-19-11-21(20-2-5-30-24(20)12-19)26-13-22-25(33-7-9-34-10-8-33)15-32(16-27(22)35-26)17-31-6-3-23-18(14-31)1-4-29-23/h2,5,11-13,15,18,23,29-30H,1,3-4,6-10,14,16-17H2
InChIKeyQPVJGOKIJAOXEY-UHFFFAOYSA-N
XLogP4.12
TPSA46.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

PI-3065
CID 24937012
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 57506734
N-(3-(3-morpholinopropyl)-1H-indol-5-yl)thiophene-2-carboximidamide
CID 15951191
1-(2-fluorophenyl)-2-{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}-2,3,4,9-tetrahydro-1H-beta-carboline
CID 45220468
4-[2-(6-fluoro-1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 17747501
4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936354
6-(cis-3,5-Dimethyl-piperazin-1-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 24936355
4-[2-(6-fluoro-1H-indol-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936485
4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937265

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine?
The IUPAC name of 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine (CID 68795970) is 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine is Fc1cc(-c2cc3c(s2)CN(CN2CCC4NCCC4C2)C=C3N2CCOCC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine?
The InChIKey is QPVJGOKIJAOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5OS/c28-19-11-21(20-2-5-30-24(20)12-19)26-13-22-25(33-7-9-34-10-8-33)15-32(16-27(22)35-26)17-31-6-3-23-18(14-31)1-4-29-23/h2,5,11-13,15,18,23,29-30H,1,3-4,6-10,14,16-17H2.
What are the key properties of 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine?
4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine has a molecular weight of 493.65 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-2-(6-fluoro-1H-indol-4-yl)-7H-thieno[2,3-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 68795970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).