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

C26H31FN6OS — CID 24936354

IUPAC4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC(C)[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CCN1
InChIInChI=1S/C26H31FN6OS/c1-16(2)23-15-32(6-5-29-23)14-18-13-22-24(35-18)26(33-7-9-34-10-8-33)31-25(30-22)20-11-17(27)12-21-19(20)3-4-28-21/h3-4,11-13,16,23,28-29H,5-10,14-15H2,1-2H3/t23-/m0/s1
InChIKeyPEOZEOBNYGBCPN-QHCPKHFHSA-N
MW494.64 g/mol
LogP4.25
Rot. Bonds5

About 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

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 (PubChem CID 24936354) has the molecular formula C26H31FN6OS and a molecular weight of 494.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24936354
Molecular FormulaC26H31FN6OS
Molecular Weight494.64 g/mol
Exact Mass494.23
IUPAC Name4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCC(C)[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CCN1
InChIInChI=1S/C26H31FN6OS/c1-16(2)23-15-32(6-5-29-23)14-18-13-22-24(35-18)26(33-7-9-34-10-8-33)31-25(30-22)20-11-17(27)12-21-19(20)3-4-28-21/h3-4,11-13,16,23,28-29H,5-10,14-15H2,1-2H3/t23-/m0/s1
InChIKeyPEOZEOBNYGBCPN-QHCPKHFHSA-N
XLogP4.25
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
CID 59151261
4-[2-(6-methoxy-1H-indol-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24938257
4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-1H-indole-6-carbonitrile
CID 24936486
4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 91556339
4-[2-(5-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937384
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
4-[6-[(4-ethylpiperazin-1-yl)methyl]-2-(5-fluoro-1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70957269
4-[2-(1H-indol-4-yl)-6-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59151321
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
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
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-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)[C@@H]1CN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CCN1.
What is the InChIKey of 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?
The InChIKey is PEOZEOBNYGBCPN-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H31FN6OS/c1-16(2)23-15-32(6-5-29-23)14-18-13-22-24(35-18)26(33-7-9-34-10-8-33)31-25(30-22)20-11-17(27)12-21-19(20)3-4-28-21/h3-4,11-13,16,23,28-29H,5-10,14-15H2,1-2H3/t23-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 494.64 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24936354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).