N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C25H31N3O3S — CID 121363470

IUPACN-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1CC(C)C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1cccs1)CO2
InChIInChI=1S/C25H31N3O3S/c1-15(2)10-16-11-17-20(12-19(16)30-6)31-13-18-22(24(29)26-14-25(3,4)5)27-28(23(17)18)21-8-7-9-32-21/h7-9,11-12,15H,10,13-14H2,1-6H3,(H,26,29)
InChIKeyFEXBDSHGJSZVMO-UHFFFAOYSA-N
MW453.61 g/mol
LogP5.48
Rot. Bonds6

About N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 121363470) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID121363470
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1CC(C)C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1cccs1)CO2
InChIInChI=1S/C25H31N3O3S/c1-15(2)10-16-11-17-20(12-19(16)30-6)31-13-18-22(24(29)26-14-25(3,4)5)27-28(23(17)18)21-8-7-9-32-21/h7-9,11-12,15H,10,13-14H2,1-6H3,(H,26,29)
InChIKeyFEXBDSHGJSZVMO-UHFFFAOYSA-N
XLogP5.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.61
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-dimethylpropyl)-7-methoxy-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056901
N-(2,2-dimethylpropyl)-7-methoxy-8-(5-methyl-1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 155249982
tert-butyl 4-(8-bromo-7-methoxy-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 171508265
N-(2,2-dimethylpropyl)-7-methoxy-8-(oxolan-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 121363444
N-tert-butyl-8-methoxy-N-methyl-9-(2-methylpropyl)-1-thiophen-3-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 144767177
7-methoxy-8-(2-methylpropyl)-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 121368689
N-tert-butyl-8-(1-hydroxypropan-2-yloxy)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615219
cyclobutyl-[4-[8-(5-hydroxy-3-pyridinyl)-7-methoxy-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]-1,4-diazepan-1-yl]methanone
CID 171508101
tert-butyl (4R)-4-amino-5-[3-[[5-[3-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-7-methoxy-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazol-8-yl]-3-pyridinyl]oxy]propylamino]-5-oxopentanoate
CID 171507687
N-(2-aminoethyl)-7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 144766983
ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 58124993
1-[7-methoxy-8-(1,2-thiazol-5-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]-2,3,3-trimethylbutan-1-one
CID 155263419

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 121363470) is N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1CC(C)C)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1cccs1)CO2.
What is the InChIKey of N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FEXBDSHGJSZVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-15(2)10-16-11-17-20(12-19(16)30-6)31-13-18-22(24(29)26-14-25(3,4)5)27-28(23(17)18)21-8-7-9-32-21/h7-9,11-12,15H,10,13-14H2,1-6H3,(H,26,29).
What are the key properties of N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-7-methoxy-8-(2-methylpropyl)-1-thiophen-2-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 121363470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).