CID 160577285

C21H22F2N4O4S — CID 160577285

IUPAC—
SMILESCCc1ncc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C(C)C)c2)n1.N=S(=O)=O
InChIInChI=1S/C21H21F2N3O2.HNO2S/c1-5-19-24-10-18(28-17-7-6-15(22)9-16(17)23)20(25-19)14-8-13(4)21(27)26(11-14)12(2)3;1-4(2)3/h6-12H,5H2,1-4H3;1H
InChIKeyRBHXCKPVIXMCDJ-UHFFFAOYSA-N
MW464.49 g/mol
LogP4.46
Rot. Bonds5

About CID 160577285

CID 160577285 (PubChem CID 160577285) has the molecular formula C21H22F2N4O4S and a molecular weight of 464.49 g/mol.

Molecular Properties

Compound NameCID 160577285
PubChem CID160577285
Molecular FormulaC21H22F2N4O4S
Molecular Weight464.49 g/mol
Exact Mass464.13
IUPAC Name—
SMILESCCc1ncc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C(C)C)c2)n1.N=S(=O)=O
InChIInChI=1S/C21H21F2N3O2.HNO2S/c1-5-19-24-10-18(28-17-7-6-15(22)9-16(17)23)20(25-19)14-8-13(4)21(27)26(11-14)12(2)3;1-4(2)3/h6-12H,5H2,1-4H3;1H
InChIKeyRBHXCKPVIXMCDJ-UHFFFAOYSA-N
XLogP4.46
TPSA115.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-(2,4-difluorophenoxy)-2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methoxy-1-methylpyridin-2-one
CID 147093073
N-[4-[1-(cyclopropylmethyl)-5-methyl-6-oxo-3-pyridinyl]-5-(2,4-difluorophenoxy)pyrimidin-2-yl]ethanesulfonamide
CID 118021861
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
CID 175557907
N-[5-(2,4-difluorophenoxy)-4-(2-methyl-1-oxo-5,6,7,8-tetrahydroisoquinolin-4-yl)pyrimidin-2-yl]methanesulfinamide
CID 118027839
N-[5-(2,4-difluorophenoxy)-4-(6-methyl-7-oxofuro[2,3-c]pyridin-4-yl)pyrimidin-2-yl]ethanesulfonamide
CID 118021366
2-[[(2R)-butan-2-yl]amino]-6-(2,4-difluorophenoxy)-8-[(2R)-2-hydroxypropyl]pyrido[2,3-d]pyrimidin-7-one
CID 11384150
N-[4-(2,4-difluorophenoxy)-3-(1,5-dimethyl-6-oxo-3-pyridinyl)-6-methylcyclohexa-2,4-dien-1-yl]ethanesulfonamide
CID 134311471
5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103237
4-[5-(2,4-difluorophenoxy)-2-(1,1-dioxothiolan-2-yl)pyrimidin-4-yl]-2-methylisoquinolin-1-one
CID 118327062
6-(2,4-difluorophenoxy)-8-[(2S)-2-hydroxypropyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 59681427
N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]ethanesulfonamide
CID 134516559
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-2-amine
CID 81253500

Frequently Asked Questions

What is the IUPAC name of CID 160577285?
The IUPAC name of CID 160577285 (CID 160577285) is not available.
What is the SMILES notation for CID 160577285?
The canonical SMILES for CID 160577285 is CCc1ncc(Oc2ccc(F)cc2F)c(-c2cc(C)c(=O)n(C(C)C)c2)n1.N=S(=O)=O.
What is the InChIKey of CID 160577285?
The InChIKey is RBHXCKPVIXMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2.HNO2S/c1-5-19-24-10-18(28-17-7-6-15(22)9-16(17)23)20(25-19)14-8-13(4)21(27)26(11-14)12(2)3;1-4(2)3/h6-12H,5H2,1-4H3;1H.
What are the key properties of CID 160577285?
CID 160577285 has a molecular weight of 464.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160577285 is sourced from PubChem (CID 160577285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).