4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine

C24H27N7O2S — CID 172750261

IUPAC4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1cc(-c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)sc1CN1CCOCC1
InChIInChI=1S/C24H27N7O2S/c1-16-13-20(34-21(16)15-30-5-9-32-10-6-30)23-26-22(17-3-2-4-19-18(17)14-25-29-19)27-24(28-23)31-7-11-33-12-8-31/h2-4,13-14H,5-12,15H2,1H3,(H,25,29)
InChIKeyKGTGGVDWDCNXFN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.12
Rot. Bonds5

About 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine

4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 172750261) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID172750261
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine
SMILESCc1cc(-c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)sc1CN1CCOCC1
InChIInChI=1S/C24H27N7O2S/c1-16-13-20(34-21(16)15-30-5-9-32-10-6-30)23-26-22(17-3-2-4-19-18(17)14-25-29-19)27-24(28-23)31-7-11-33-12-8-31/h2-4,13-14H,5-12,15H2,1H3,(H,25,29)
InChIKeyKGTGGVDWDCNXFN-UHFFFAOYSA-N
XLogP3.12
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-[4-methyl-5-[(4-methylsulfonylpiperazin-1-yl)methyl]thiophen-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 172798694
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484
2-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanol
CID 174682351
1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one
CID 159059273
2-amino-1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 24996702
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 122658897
4-[2-(1H-indazol-4-yl)-6-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11706409
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-phenylthieno[3,2-d]pyrimidin-6-amine
CID 59592927
4-[(E)-3-hydroxyprop-1-enyl]-2-(1H-indazol-4-yl)-6-morpholin-4-ylpyrimidin-5-ol
CID 137228905

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine (CID 172750261) is 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine is Cc1cc(-c2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)sc1CN1CCOCC1.
What is the InChIKey of 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is KGTGGVDWDCNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-16-13-20(34-21(16)15-30-5-9-32-10-6-30)23-26-22(17-3-2-4-19-18(17)14-25-29-19)27-24(28-23)31-7-11-33-12-8-31/h2-4,13-14H,5-12,15H2,1H3,(H,25,29).
What are the key properties of 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 477.59 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 172750261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).