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

C24H25N5O3S — CID 86345708

IUPACN-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H25N5O3S/c1-24(2,3)28(4)23(30)21-18-12-32-20-9-19(31-5)16(14-10-25-26-11-14)8-17(20)22(18)29(27-21)15-6-7-33-13-15/h6-11,13H,12H2,1-5H3,(H,25,26)
InChIKeyIXYXKRCUJVLTHZ-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.76
Rot. Bonds4

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

N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 86345708) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID86345708
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC NameN-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1cn[nH]c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H25N5O3S/c1-24(2,3)28(4)23(30)21-18-12-32-20-9-19(31-5)16(14-10-25-26-11-14)8-17(20)22(18)29(27-21)15-6-7-33-13-15/h6-11,13H,12H2,1-5H3,(H,25,26)
InChIKeyIXYXKRCUJVLTHZ-UHFFFAOYSA-N
XLogP4.76
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 86345708) is N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-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-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1cn[nH]c1)-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-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is IXYXKRCUJVLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-24(2,3)28(4)23(30)21-18-12-32-20-9-19(31-5)16(14-10-25-26-11-14)8-17(20)22(18)29(27-21)15-6-7-33-13-15/h6-11,13H,12H2,1-5H3,(H,25,26).
What are the key properties of N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-tert-butyl-7-methoxy-N-methyl-8-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 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-(1H-pyrazol-4-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 86345708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).