N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C24H29N3O3S2 — CID 87056268

IUPACN-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1SC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H29N3O3S2/c1-14(2)32-20-10-16-18(11-19(20)29-7)30-12-17-21(23(28)26(6)24(3,4)5)25-27(22(16)17)15-8-9-31-13-15/h8-11,13-14H,12H2,1-7H3
InChIKeyFTMRULVDPZDPEU-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.87
Rot. Bonds5

About N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 87056268) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID87056268
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC NameN-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1SC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H29N3O3S2/c1-14(2)32-20-10-16-18(11-19(20)29-7)30-12-17-21(23(28)26(6)24(3,4)5)25-27(22(16)17)15-8-9-31-13-15/h8-11,13-14H,12H2,1-7H3
InChIKeyFTMRULVDPZDPEU-UHFFFAOYSA-N
XLogP5.87
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-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-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 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) is N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1SC(C)C)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2.
What is the InChIKey of N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FTMRULVDPZDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-14(2)32-20-10-16-18(11-19(20)29-7)30-12-17-21(23(28)26(6)24(3,4)5)25-27(22(16)17)15-8-9-31-13-15/h8-11,13-14H,12H2,1-7H3.
What are the key properties of N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 471.65 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxy-N-methyl-8-propan-2-ylsulfanyl-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 87056268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).