1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea

C26H28N6O3S — CID 169152655

IUPAC1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCc1cc2c(c(NC(=O)NS(=O)c3cc4n(n3)CCOC4(C)C)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C26H28N6O3S/c1-16-13-17-5-4-6-20(17)24(23(16)18-8-10-31-19(14-18)7-9-27-31)28-25(33)30-36(34)22-15-21-26(2,3)35-12-11-32(21)29-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,28,30,33)
InChIKeyIVSZUVOATASMOO-UHFFFAOYSA-N
MW504.62 g/mol
LogP4.10
Rot. Bonds4

About 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea

1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 169152655) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

Compound Name1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID169152655
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESCc1cc2c(c(NC(=O)NS(=O)c3cc4n(n3)CCOC4(C)C)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C26H28N6O3S/c1-16-13-17-5-4-6-20(17)24(23(16)18-8-10-31-19(14-18)7-9-27-31)28-25(33)30-36(34)22-15-21-26(2,3)35-12-11-32(21)29-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,28,30,33)
InChIKeyIVSZUVOATASMOO-UHFFFAOYSA-N
XLogP4.10
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The IUPAC name of 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 169152655) is 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea.
What is the SMILES notation for 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The canonical SMILES for 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea is Cc1cc2c(c(NC(=O)NS(=O)c3cc4n(n3)CCOC4(C)C)c1-c1ccn3nccc3c1)CCC2.
What is the InChIKey of 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is IVSZUVOATASMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-16-13-17-5-4-6-20(17)24(23(16)18-8-10-31-19(14-18)7-9-27-31)28-25(33)30-36(34)22-15-21-26(2,3)35-12-11-32(21)29-22/h7-10,13-15H,4-6,11-12H2,1-3H3,(H2,28,30,33).
What are the key properties of 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 504.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethyl-6,7-dihydropyrazolo[5,1-c][1,4]oxazin-2-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 169152655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).