4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine

C27H34N6OS — CID 122432189

IUPAC4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCC(C)(C)N1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C27H34N6OS/c1-27(2,3)33-11-9-31(10-12-33)17-19-18-35-25-23(19)29-26(32-13-15-34-16-14-32)30-24(25)21-5-4-6-22-20(21)7-8-28-22/h4-8,18,28H,9-17H2,1-3H3
InChIKeyUBEPMBRSGHPGLV-UHFFFAOYSA-N
MW490.68 g/mol
LogP4.59
Rot. Bonds4

About 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine

4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine (PubChem CID 122432189) has the molecular formula C27H34N6OS and a molecular weight of 490.68 g/mol. Its IUPAC name is 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
PubChem CID122432189
Molecular FormulaC27H34N6OS
Molecular Weight490.68 g/mol
Exact Mass490.25
IUPAC Name4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine
SMILESCC(C)(C)N1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1
InChIInChI=1S/C27H34N6OS/c1-27(2,3)33-11-9-31(10-12-33)17-19-18-35-25-23(19)29-26(32-13-15-34-16-14-32)30-24(25)21-5-4-6-22-20(21)7-8-28-22/h4-8,18,28H,9-17H2,1-3H3
InChIKeyUBEPMBRSGHPGLV-UHFFFAOYSA-N
XLogP4.59
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.68
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pictilisib
CID 17755052
PI-3065
CID 24937012
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
2-(1H-Indazol-4-yl)-6-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11532472
2-(1H-indazol-4-yl)-4-morpholinothieno[3,2-d]pyrimidine
CID 25023743
2-Methyl-2-(4-((4-morpholino-2-(1h-pyrrolo[2,3-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 49834039
2-[4-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide
CID 57506726
4-[4-(methylsulfonylmethyl)-6-morpholin-4-yl-pyrimidin-2-yl]-1H-indole
CID 58137106
2-{4-[4-(1H-Indol-5-ylamino)-thieno[3,2-d]pyrimidin-6-yl]-benzylamino}-2-methyl-propan-1-ol
CID 44316725
2-[1-[[5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
CID 71453081
4-[6-[[(5aS,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137635017

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine (CID 122432189) is 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine is CC(C)(C)N1CCN(Cc2csc3c(-c4cccc5[nH]ccc45)nc(N4CCOCC4)nc23)CC1.
What is the InChIKey of 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
The InChIKey is UBEPMBRSGHPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6OS/c1-27(2,3)33-11-9-31(10-12-33)17-19-18-35-25-23(19)29-26(32-13-15-34-16-14-32)30-24(25)21-5-4-6-22-20(21)7-8-28-22/h4-8,18,28H,9-17H2,1-3H3.
What are the key properties of 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine?
4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine has a molecular weight of 490.68 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(4-tert-butylpiperazin-1-yl)methyl]-4-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 122432189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).