1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea

C25H25N7O4S — CID 169042460

IUPAC1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESO=C(Nc1c(-c2ccc3ncnn3c2)ccc2c1CCC2)NS(=O)(=O)c1cc2n(n1)CCO[C@H]2C1CC1
InChIInChI=1S/C25H25N7O4S/c33-25(30-37(34,35)22-12-20-24(16-4-5-16)36-11-10-31(20)29-22)28-23-18-3-1-2-15(18)6-8-19(23)17-7-9-21-26-14-27-32(21)13-17/h6-9,12-14,16,24H,1-5,10-11H2,(H2,28,30,33)/t24-/m0/s1
InChIKeyOQJMMQCDXQMIFY-DEOSSOPVSA-N
MW519.59 g/mol
LogP3.07
Rot. Bonds5

About 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea

1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 169042460) has the molecular formula C25H25N7O4S and a molecular weight of 519.59 g/mol. Its IUPAC name is 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

Compound Name1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea
PubChem CID169042460
Molecular FormulaC25H25N7O4S
Molecular Weight519.59 g/mol
Exact Mass519.17
IUPAC Name1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea
SMILESO=C(Nc1c(-c2ccc3ncnn3c2)ccc2c1CCC2)NS(=O)(=O)c1cc2n(n1)CCO[C@H]2C1CC1
InChIInChI=1S/C25H25N7O4S/c33-25(30-37(34,35)22-12-20-24(16-4-5-16)36-11-10-31(20)29-22)28-23-18-3-1-2-15(18)6-8-19(23)17-7-9-21-26-14-27-32(21)13-17/h6-9,12-14,16,24H,1-5,10-11H2,(H2,28,30,33)/t24-/m0/s1
InChIKeyOQJMMQCDXQMIFY-DEOSSOPVSA-N
XLogP3.07
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-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-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea?
The IUPAC name of 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea (CID 169042460) is 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea.
What is the SMILES notation for 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea?
The canonical SMILES for 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea is O=C(Nc1c(-c2ccc3ncnn3c2)ccc2c1CCC2)NS(=O)(=O)c1cc2n(n1)CCO[C@H]2C1CC1.
What is the InChIKey of 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea?
The InChIKey is OQJMMQCDXQMIFY-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25N7O4S/c33-25(30-37(34,35)22-12-20-24(16-4-5-16)36-11-10-31(20)29-22)28-23-18-3-1-2-15(18)6-8-19(23)17-7-9-21-26-14-27-32(21)13-17/h6-9,12-14,16,24H,1-5,10-11H2,(H2,28,30,33)/t24-/m0/s1.
What are the key properties of 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea?
1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 519.59 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]sulfonyl]-3-[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 169042460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).