4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C27H31FN6OS — CID 24937265

IUPAC4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC5CC5)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H31FN6OS/c28-19-13-22(21-3-4-29-23(21)14-19)26-30-24-15-20(17-33-7-5-32(6-8-33)16-18-1-2-18)36-25(24)27(31-26)34-9-11-35-12-10-34/h3-4,13-15,18,29H,1-2,5-12,16-17H2
InChIKeyOVWCATFHXFPRQZ-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.34
Rot. Bonds6

About 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 24937265) has the molecular formula C27H31FN6OS and a molecular weight of 506.65 g/mol. Its IUPAC name is 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24937265
Molecular FormulaC27H31FN6OS
Molecular Weight506.65 g/mol
Exact Mass506.23
IUPAC Name4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC5CC5)CC4)cc3n2)c2cc[nH]c2c1
InChIInChI=1S/C27H31FN6OS/c28-19-13-22(21-3-4-29-23(21)14-19)26-30-24-15-20(17-33-7-5-32(6-8-33)16-18-1-2-18)36-25(24)27(31-26)34-9-11-35-12-10-34/h3-4,13-15,18,29H,1-2,5-12,16-17H2
InChIKeyOVWCATFHXFPRQZ-UHFFFAOYSA-N
XLogP4.34
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

Pictilisib
CID 17755052
PI-3065
CID 24937012
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-[1-(Methylsulfonyl)cyclopropyl]-6-morpholin-4-ylpyrimidin-2-yl}-1H-indole
CID 46244173
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-[[(5aR,9aS)-1-(trifluoromethyl)-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 137633081
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
4-[6-[[(5aR,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 137648826

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 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) is 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Fc1cc(-c2nc(N3CCOCC3)c3sc(CN4CCN(CC5CC5)CC4)cc3n2)c2cc[nH]c2c1.
What is the InChIKey of 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is OVWCATFHXFPRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6OS/c28-19-13-22(21-3-4-29-23(21)14-19)26-30-24-15-20(17-33-7-5-32(6-8-33)16-18-1-2-18)36-25(24)27(31-26)34-9-11-35-12-10-34/h3-4,13-15,18,29H,1-2,5-12,16-17H2.
What are the key properties of 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 506.65 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24937265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).