4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine

C27H34N6OS — CID 68574038

IUPAC4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine
SMILESC1=C(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2CN1c1cccc2[nH]ccc12
InChIInChI=1S/C27H34N6OS/c1-3-22-21(5-8-28-22)23(4-1)33-17-24(32-13-15-34-16-14-32)27-25(18-33)35-26(29-27)19-30-11-6-20(7-12-30)31-9-2-10-31/h1,3-5,8,17,20,28H,2,6-7,9-16,18-19H2
InChIKeySUNILLVCAXEROK-UHFFFAOYSA-N
MW490.68 g/mol
LogP3.95
Rot. Bonds5

About 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine

4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine (PubChem CID 68574038) has the molecular formula C27H34N6OS and a molecular weight of 490.68 g/mol. Its IUPAC name is 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine
PubChem CID68574038
Molecular FormulaC27H34N6OS
Molecular Weight490.68 g/mol
Exact Mass490.25
IUPAC Name4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine
SMILESC1=C(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2CN1c1cccc2[nH]ccc12
InChIInChI=1S/C27H34N6OS/c1-3-22-21(5-8-28-22)23(4-1)33-17-24(32-13-15-34-16-14-32)27-25(18-33)35-26(29-27)19-30-11-6-20(7-12-30)31-9-2-10-31/h1,3-5,8,17,20,28H,2,6-7,9-16,18-19H2
InChIKeySUNILLVCAXEROK-UHFFFAOYSA-N
XLogP3.95
TPSA50.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine with MolForge

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Related Compounds

4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 58234947
4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 25127688
4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 140863792
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-c]pyridin-6-yl]methyl]piperidin-4-yl]azetidin-2-one
CID 68795235
4-[4-(1H-indol-4-yl)-12-(morpholin-4-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl]morpholine
CID 66927629
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124048
4-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-1-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2H-thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 67492701
4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24938019
4-[4-[[4-(oxan-2-yloxy)phenyl]methyl]piperazin-1-yl]-1H-indole
CID 44625124
1-[[5-(1H-indol-4-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-4-carboxylic acid
CID 146216100
3-[4-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-ol
CID 59151270

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine?
The IUPAC name of 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine (CID 68574038) is 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine is C1=C(N2CCOCC2)c2nc(CN3CCC(N4CCC4)CC3)sc2CN1c1cccc2[nH]ccc12.
What is the InChIKey of 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine?
The InChIKey is SUNILLVCAXEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6OS/c1-3-22-21(5-8-28-22)23(4-1)33-17-24(32-13-15-34-16-14-32)27-25(18-33)35-26(29-27)19-30-11-6-20(7-12-30)31-9-2-10-31/h1,3-5,8,17,20,28H,2,6-7,9-16,18-19H2.
What are the key properties of 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine?
4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine has a molecular weight of 490.68 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(azetidin-1-yl)piperidin-1-yl]methyl]-5-(1H-indol-4-yl)-4H-[1,3]thiazolo[5,4-c]pyridin-7-yl]morpholine is sourced from PubChem (CID 68574038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).