(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol

C26H31N3O4S — CID 123173141

IUPAC(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol
SMILESCOc1cc2c(cc1C=C(C)C)-c1c(c(C(O)N3CCOCC3(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C26H31N3O4S/c1-16(2)10-17-11-19-22(12-21(17)31-5)33-13-20-23(25(30)28-7-8-32-15-26(28,3)4)27-29(24(19)20)18-6-9-34-14-18/h6,9-12,14,25,30H,7-8,13,15H2,1-5H3
InChIKeyKQXAATWMQDENMB-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.03
Rot. Bonds5

About (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol

(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol (PubChem CID 123173141) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol
PubChem CID123173141
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol
SMILESCOc1cc2c(cc1C=C(C)C)-c1c(c(C(O)N3CCOCC3(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C26H31N3O4S/c1-16(2)10-17-11-19-22(12-21(17)31-5)33-13-20-23(25(30)28-7-8-32-15-26(28,3)4)27-29(24(19)20)18-6-9-34-14-18/h6,9-12,14,25,30H,7-8,13,15H2,1-5H3
InChIKeyKQXAATWMQDENMB-UHFFFAOYSA-N
XLogP5.03
TPSA68.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol with MolForge

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Related Compounds

3-ethyl-7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazole
CID 142730350
N-(2-aminoethyl)-7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 144766983
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(5-methyl-1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 87056984
ethyl 1-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]piperidine-4-carboxylate
CID 87057058
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 87056751
7-methoxy-8-(2-methylprop-1-enyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121368642
7-methoxy-8-(2-methylprop-1-enyl)-N-[2-methyl-1-(trideuteriomethoxy)propan-2-yl]-1-thiophen-3-yl-N-(trideuteriomethyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121368646
4-[[3-amino-2-[3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-8-yl]prop-2-enylidene]amino]butan-2-one
CID 174012637
1-[1-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]azepan-4-yl]pentan-1-one
CID 155263454
8-cyano-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxylic acid;3,3-dimethylmorpholine;3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-8-carbonitrile
CID 158282196
7-methoxy-8-(4-methyl-3,4-dihydro-2H-azepin-7-yl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazole-3-carbaldehyde
CID 123254836
[(4R,5S)-4,5-dihydroxy-2,2-dimethylpiperidin-1-yl]-[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 118615584

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol (CID 123173141) is (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol is COc1cc2c(cc1C=C(C)C)-c1c(c(C(O)N3CCOCC3(C)C)nn1-c1ccsc1)CO2.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol?
The InChIKey is KQXAATWMQDENMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-16(2)10-17-11-19-22(12-21(17)31-5)33-13-20-23(25(30)28-7-8-32-15-26(28,3)4)27-29(24(19)20)18-6-9-34-14-18/h6,9-12,14,25,30H,7-8,13,15H2,1-5H3.
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol?
(3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol has a molecular weight of 481.62 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanol is sourced from PubChem (CID 123173141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).