1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide

C22H24N6O5S3 — CID 167135956

IUPAC1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(Cc3cc4n(n3)CCOC4)c2=O)s1
InChIInChI=1S/C22H24N6O5S3/c1-13-23-9-16(34-13)11-26-19(29)17-8-18(36(31,32)25-22(2)3-4-22)35-20(17)27(21(26)30)10-14-7-15-12-33-6-5-28(15)24-14/h7-9,25H,3-6,10-12H2,1-2H3
InChIKeyWHGHQBDJOVGRLD-UHFFFAOYSA-N
MW548.67 g/mol
LogP1.64
Rot. Bonds7

About 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide

1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide (PubChem CID 167135956) has the molecular formula C22H24N6O5S3 and a molecular weight of 548.67 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
PubChem CID167135956
Molecular FormulaC22H24N6O5S3
Molecular Weight548.67 g/mol
Exact Mass548.10
IUPAC Name1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(Cc3cc4n(n3)CCOC4)c2=O)s1
InChIInChI=1S/C22H24N6O5S3/c1-13-23-9-16(34-13)11-26-19(29)17-8-18(36(31,32)25-22(2)3-4-22)35-20(17)27(21(26)30)10-14-7-15-12-33-6-5-28(15)24-14/h7-9,25H,3-6,10-12H2,1-2H3
InChIKeyWHGHQBDJOVGRLD-UHFFFAOYSA-N
XLogP1.64
TPSA130.11 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.67
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide 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 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?
The IUPAC name of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide (CID 167135956) is 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide is Cc1ncc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)sc3n(Cc3cc4n(n3)CCOC4)c2=O)s1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?
The InChIKey is WHGHQBDJOVGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5S3/c1-13-23-9-16(34-13)11-26-19(29)17-8-18(36(31,32)25-22(2)3-4-22)35-20(17)27(21(26)30)10-14-7-15-12-33-6-5-28(15)24-14/h7-9,25H,3-6,10-12H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide?
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide has a molecular weight of 548.67 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide is sourced from PubChem (CID 167135956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).