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

C25H24FN3O3S2 — CID 155249969

IUPACN-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H24FN3O3S2/c1-25(2,3)13-27-24(30)22-17-11-32-19-10-18(31-4)15(20-5-6-21(26)34-20)9-16(19)23(17)29(28-22)14-7-8-33-12-14/h5-10,12H,11,13H2,1-4H3,(H,27,30)
InChIKeyJPRSCPOFNUFAAI-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.15
Rot. Bonds5

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

N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155249969) has the molecular formula C25H24FN3O3S2 and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID155249969
Molecular FormulaC25H24FN3O3S2
Molecular Weight497.62 g/mol
Exact Mass497.12
IUPAC NameN-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H24FN3O3S2/c1-25(2,3)13-27-24(30)22-17-11-32-19-10-18(31-4)15(20-5-6-21(26)34-20)9-16(19)23(17)29(28-22)14-7-8-33-12-14/h5-10,12H,11,13H2,1-4H3,(H,27,30)
InChIKeyJPRSCPOFNUFAAI-UHFFFAOYSA-N
XLogP6.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 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) is N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)NCC(C)(C)C)nn1-c1ccsc1)CO2.
What is the InChIKey of N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is JPRSCPOFNUFAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S2/c1-25(2,3)13-27-24(30)22-17-11-32-19-10-18(31-4)15(20-5-6-21(26)34-20)9-16(19)23(17)29(28-22)14-7-8-33-12-14/h5-10,12H,11,13H2,1-4H3,(H,27,30).
What are the key properties of N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-8-(5-fluorothiophen-2-yl)-7-methoxy-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155249969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).