7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C24H23N5O4S — CID 87056753

IUPAC7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NC3(C)COC3)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H23N5O4S/c1-24(12-32-13-24)25-23(30)21-17-10-33-20-9-19(31-3)15(18-4-6-28(2)26-18)8-16(20)22(17)29(27-21)14-5-7-34-11-14/h4-9,11H,10,12-13H2,1-3H3,(H,25,30)
InChIKeyDXDZOUGRHHBLMB-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.42
Rot. Bonds5

About 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 87056753) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID87056753
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCOc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NC3(C)COC3)nn1-c1ccsc1)CO2
InChIInChI=1S/C24H23N5O4S/c1-24(12-32-13-24)25-23(30)21-17-10-33-20-9-19(31-3)15(18-4-6-28(2)26-18)8-16(20)22(17)29(27-21)14-5-7-34-11-14/h4-9,11H,10,12-13H2,1-3H3,(H,25,30)
InChIKeyDXDZOUGRHHBLMB-UHFFFAOYSA-N
XLogP3.42
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 87056753) is 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is COc1cc2c(cc1-c1ccn(C)n1)-c1c(c(C(=O)NC3(C)COC3)nn1-c1ccsc1)CO2.
What is the InChIKey of 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is DXDZOUGRHHBLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-24(12-32-13-24)25-23(30)21-17-10-33-20-9-19(31-3)15(18-4-6-28(2)26-18)8-16(20)22(17)29(27-21)14-5-7-34-11-14/h4-9,11H,10,12-13H2,1-3H3,(H,25,30).
What are the key properties of 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methyloxetan-3-yl)-8-(1-methylpyrazol-3-yl)-1-thiophen-3-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 87056753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).