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

C25H24FN3O3S2 — CID 87056352

IUPACN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H24FN3O3S2/c1-25(2,3)28(4)24(30)22-17-12-32-19-11-18(31-5)15(20-6-7-21(26)34-20)10-16(19)23(17)29(27-22)14-8-9-33-13-14/h6-11,13H,12H2,1-5H3
InChIKeyVKKLQCGXXOZUCX-UHFFFAOYSA-N
MW497.62 g/mol
LogP6.24
Rot. Bonds4

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

N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 87056352) has the molecular formula C25H24FN3O3S2 and a molecular weight of 497.62 g/mol. Its IUPAC name is N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID87056352
Molecular FormulaC25H24FN3O3S2
Molecular Weight497.62 g/mol
Exact Mass497.12
IUPAC NameN-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C25H24FN3O3S2/c1-25(2,3)28(4)24(30)22-17-12-32-19-11-18(31-5)15(20-6-7-21(26)34-20)10-16(19)23(17)29(27-22)14-8-9-33-13-14/h6-11,13H,12H2,1-5H3
InChIKeyVKKLQCGXXOZUCX-UHFFFAOYSA-N
XLogP6.24
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.62
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-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-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 87056352) is N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-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-methoxy-N-methyl-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-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1ccc(F)s1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2.
What is the InChIKey of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is VKKLQCGXXOZUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3S2/c1-25(2,3)28(4)24(30)22-17-12-32-19-11-18(31-5)15(20-6-7-21(26)34-20)10-16(19)23(17)29(27-22)14-8-9-33-13-14/h6-11,13H,12H2,1-5H3.
What are the key properties of N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-tert-butyl-8-(5-fluorothiophen-2-yl)-7-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 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-methoxy-N-methyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 87056352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).