5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide

C22H20N6O4S — CID 59394438

IUPAC5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
SMILESCC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CS(=O)(=O)C6)ccc43)n[nH]2)CC1
InChIInChI=1S/C22H20N6O4S/c1-22(5-6-22)18-9-19(27-26-18)25-21(29)28-7-4-13-8-14(2-3-17(13)28)32-20-15-10-33(30,31)11-16(15)23-12-24-20/h2-4,7-9,12H,5-6,10-11H2,1H3,(H2,25,26,27,29)
InChIKeyFQFWKYDFLOFMEV-UHFFFAOYSA-N
MW464.51 g/mol
LogP3.51
Rot. Bonds4

About 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide

5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide (PubChem CID 59394438) has the molecular formula C22H20N6O4S and a molecular weight of 464.51 g/mol. Its IUPAC name is 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
PubChem CID59394438
Molecular FormulaC22H20N6O4S
Molecular Weight464.51 g/mol
Exact Mass464.13
IUPAC Name5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide
SMILESCC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CS(=O)(=O)C6)ccc43)n[nH]2)CC1
InChIInChI=1S/C22H20N6O4S/c1-22(5-6-22)18-9-19(27-26-18)25-21(29)28-7-4-13-8-14(2-3-17(13)28)32-20-15-10-33(30,31)11-16(15)23-12-24-20/h2-4,7-9,12H,5-6,10-11H2,1H3,(H2,25,26,27,29)
InChIKeyFQFWKYDFLOFMEV-UHFFFAOYSA-N
XLogP3.51
TPSA131.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-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 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The IUPAC name of 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide (CID 59394438) is 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide.
What is the SMILES notation for 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The canonical SMILES for 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide is CC1(c2cc(NC(=O)n3ccc4cc(Oc5ncnc6c5CS(=O)(=O)C6)ccc43)n[nH]2)CC1.
What is the InChIKey of 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
The InChIKey is FQFWKYDFLOFMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O4S/c1-22(5-6-22)18-9-19(27-26-18)25-21(29)28-7-4-13-8-14(2-3-17(13)28)32-20-15-10-33(30,31)11-16(15)23-12-24-20/h2-4,7-9,12H,5-6,10-11H2,1H3,(H2,25,26,27,29).
What are the key properties of 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide?
5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide has a molecular weight of 464.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)oxy]-N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]indole-1-carboxamide is sourced from PubChem (CID 59394438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).