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

C28H28N6O3S — CID 169152619

IUPAC1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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)c3cnc4c(c3)N(C3CC3)CCO4)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C28H28N6O3S/c1-17-13-18-3-2-4-23(18)26(25(17)19-8-10-34-21(14-19)7-9-30-34)31-28(35)32-38(36)22-15-24-27(29-16-22)37-12-11-33(24)20-5-6-20/h7-10,13-16,20H,2-6,11-12H2,1H3,(H2,31,32,35)
InChIKeyQANADDPRMIIXAL-UHFFFAOYSA-N
MW528.64 g/mol
LogP4.40
Rot. Bonds5

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

1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (PubChem CID 169152619) has the molecular formula C28H28N6O3S and a molecular weight of 528.64 g/mol. Its IUPAC name is 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
PubChem CID169152619
Molecular FormulaC28H28N6O3S
Molecular Weight528.64 g/mol
Exact Mass528.19
IUPAC Name1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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)c3cnc4c(c3)N(C3CC3)CCO4)c1-c1ccn3nccc3c1)CCC2
InChIInChI=1S/C28H28N6O3S/c1-17-13-18-3-2-4-23(18)26(25(17)19-8-10-34-21(14-19)7-9-30-34)31-28(35)32-38(36)22-15-24-27(29-16-22)37-12-11-33(24)20-5-6-20/h7-10,13-16,20H,2-6,11-12H2,1H3,(H2,31,32,35)
InChIKeyQANADDPRMIIXAL-UHFFFAOYSA-N
XLogP4.40
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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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Related Compounds

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
1-(1-cyclopropylpyrazol-4-yl)sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783927
1-[5-[cyclopropyl(hydroxy)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 171783935
1-(benzenesulfinyl)-3-[5-(2-methoxy-4-pyridinyl)-6-methyl-2,3-dihydro-1H-inden-4-yl]urea
CID 153403935
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylsulfonyl)-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea
CID 169042478
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylpyrazol-3-yl)sulfinylurea
CID 146318114
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[3-(trifluoromethoxy)phenyl]sulfinylurea
CID 145139537
methyl N-[6-methyl-5-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]carbamate
CID 175358149
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxybutyl)pyrazol-3-yl]sulfinylurea
CID 142587935
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylazepan-4-yl)sulfinylurea
CID 137403189
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]sulfinylurea
CID 138532561
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]sulfinylurea
CID 142587954

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea (CID 169152619) is 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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)c3cnc4c(c3)N(C3CC3)CCO4)c1-c1ccn3nccc3c1)CCC2.
What is the InChIKey of 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
The InChIKey is QANADDPRMIIXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3S/c1-17-13-18-3-2-4-23(18)26(25(17)19-8-10-34-21(14-19)7-9-30-34)31-28(35)32-38(36)22-15-24-27(29-16-22)37-12-11-33(24)20-5-6-20/h7-10,13-16,20H,2-6,11-12H2,1H3,(H2,31,32,35).
What are the key properties of 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)sulfinyl]-3-(6-methyl-5-pyrazolo[1,5-a]pyridin-5-yl-2,3-dihydro-1H-inden-4-yl)urea?
1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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 528.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-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 169152619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).