2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide

C19H16F2N4O2S — CID 4672580

IUPAC2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H16F2N4O2S/c20-18(21)27-16-8-4-3-7-14(16)23-17(26)11-28-19-24-13-6-2-1-5-12(13)15-9-10-22-25(15)19/h1-8,10,15,18H,9,11H2,(H,23,26)
InChIKeyOPBPICBFAAZLBM-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.39
Rot. Bonds5

About 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 4672580) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID4672580
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H16F2N4O2S/c20-18(21)27-16-8-4-3-7-14(16)23-17(26)11-28-19-24-13-6-2-1-5-12(13)15-9-10-22-25(15)19/h1-8,10,15,18H,9,11H2,(H,23,26)
InChIKeyOPBPICBFAAZLBM-UHFFFAOYSA-N
XLogP4.39
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-naphthalen-1-ylacetamide
CID 3406241
2-[[(10bR)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 7831079
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 4212663
dimethyl 5-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 3622930
butyl 4-[[2-[[(10bS)-1,10b-dihydropyrazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetyl]amino]benzoate
CID 40784995
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-methyl-N-phenylacetamide
CID 3887874
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3270432
N-[2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591520
N-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2994410
2-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]sulfanylbenzoic acid
CID 5019415
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 2601722

Frequently Asked Questions

What is the IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 4672580) is 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CSC1=Nc2ccccc2C2CC=NN12)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is OPBPICBFAAZLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c20-18(21)27-16-8-4-3-7-14(16)23-17(26)11-28-19-24-13-6-2-1-5-12(13)15-9-10-22-25(15)19/h1-8,10,15,18H,9,11H2,(H,23,26).
What are the key properties of 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4672580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).