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

C26H26N6O2S — CID 170126274

IUPAC1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESO=C(NSc1cc2n(n1)CCOC2C1CC1)Nc1c(-c2ccn3ccnc3c2)ccc2c1CCC2
InChIInChI=1S/C26H26N6O2S/c33-26(30-35-23-15-21-25(17-4-5-17)34-13-12-32(21)29-23)28-24-19-3-1-2-16(19)6-7-20(24)18-8-10-31-11-9-27-22(31)14-18/h6-11,14-15,17,25H,1-5,12-13H2,(H2,28,30,33)
InChIKeyUMMBIWLHTDJVRS-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.00
Rot. Bonds5

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

1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 170126274) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID170126274
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea
SMILESO=C(NSc1cc2n(n1)CCOC2C1CC1)Nc1c(-c2ccn3ccnc3c2)ccc2c1CCC2
InChIInChI=1S/C26H26N6O2S/c33-26(30-35-23-15-21-25(17-4-5-17)34-13-12-32(21)29-23)28-24-19-3-1-2-16(19)6-7-20(24)18-8-10-31-11-9-27-22(31)14-18/h6-11,14-15,17,25H,1-5,12-13H2,(H2,28,30,33)
InChIKeyUMMBIWLHTDJVRS-UHFFFAOYSA-N
XLogP5.00
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea?
The IUPAC name of 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 170126274) is 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea.
What is the SMILES notation for 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea?
The canonical SMILES for 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea is O=C(NSc1cc2n(n1)CCOC2C1CC1)Nc1c(-c2ccn3ccnc3c2)ccc2c1CCC2.
What is the InChIKey of 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is UMMBIWLHTDJVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c33-26(30-35-23-15-21-25(17-4-5-17)34-13-12-32(21)29-23)28-24-19-3-1-2-16(19)6-7-20(24)18-8-10-31-11-9-27-22(31)14-18/h6-11,14-15,17,25H,1-5,12-13H2,(H2,28,30,33).
What are the key properties of 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea has a molecular weight of 486.60 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)sulfanyl]-3-(5-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1H-inden-4-yl)urea is sourced from PubChem (CID 170126274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).