N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C23H20FN3O3S2 — CID 136929064

IUPACN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nn(-c2ccsc2)c2c1COc1cc(O)c(-c3ccc(F)s3)cc1-2
InChIInChI=1S/C23H20FN3O3S2/c1-23(2,3)25-22(29)20-15-10-30-17-9-16(28)13(18-4-5-19(24)32-18)8-14(17)21(15)27(26-20)12-6-7-31-11-12/h4-9,11,28H,10H2,1-3H3,(H,25,29)
InChIKeyGGIHVBVPJGBPIY-UHFFFAOYSA-N
MW469.56 g/mol
LogP5.59
Rot. Bonds3

About N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 136929064) has the molecular formula C23H20FN3O3S2 and a molecular weight of 469.56 g/mol. Its IUPAC name is N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID136929064
Molecular FormulaC23H20FN3O3S2
Molecular Weight469.56 g/mol
Exact Mass469.09
IUPAC NameN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)(C)NC(=O)c1nn(-c2ccsc2)c2c1COc1cc(O)c(-c3ccc(F)s3)cc1-2
InChIInChI=1S/C23H20FN3O3S2/c1-23(2,3)25-22(29)20-15-10-30-17-9-16(28)13(18-4-5-19(24)32-18)8-14(17)21(15)27(26-20)12-6-7-31-11-12/h4-9,11,28H,10H2,1-3H3,(H,25,29)
InChIKeyGGIHVBVPJGBPIY-UHFFFAOYSA-N
XLogP5.59
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.56
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056352
[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazol-3-yl]-[3-(trifluoromethyl)morpholin-4-yl]methanone
CID 117805104
[7-methoxy-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[4,3-c]pyrazol-3-yl]-[2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]methanone
CID 118615576
N-tert-butyl-8-(2-fluoro-3-pyridinyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615598
N-tert-butyl-8-(2-fluoro-5-methyl-3-pyridinyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615647
N-tert-butyl-8-(2-fluorophenyl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 118615667
N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 155249969
7-Methoxy-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-1,4-dihydro-chromeno[4,3-c]pyrazole-3-carboxylic acid tert-butyl-methyl-amide
CID 86345708
azetidin-1-yl-[(4S)-1-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carbonyl]azepan-4-yl]methanone
CID 87056265
(3-hydroxypyrrolidin-1-yl)-[7-methoxy-8-(2-methylprop-1-enyl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
CID 87056266
3-N-tert-butyl-7-methoxy-3-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3,8-dicarboxamide
CID 87056267
N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 87056268

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 136929064) is N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is CC(C)(C)NC(=O)c1nn(-c2ccsc2)c2c1COc1cc(O)c(-c3ccc(F)s3)cc1-2.
What is the InChIKey of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is GGIHVBVPJGBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S2/c1-23(2,3)25-22(29)20-15-10-30-17-9-16(28)13(18-4-5-19(24)32-18)8-14(17)21(15)27(26-20)12-6-7-31-11-12/h4-9,11,28H,10H2,1-3H3,(H,25,29).
What are the key properties of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-hydroxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 136929064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).