1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea

C31H26FN7O2S — CID 67253608

IUPAC1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea
SMILESCC(C)c1nc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C31H26FN7O2S/c1-18(2)30-37-29(28(42-30)20-6-8-25-19(13-20)5-4-11-33-25)38-31(40)36-26-9-7-22(14-24(26)32)41-23-10-12-34-27(15-23)21-16-35-39(3)17-21/h4-18H,1-3H3,(H2,36,38,40)
InChIKeyUGQOFXDEZJJMRF-UHFFFAOYSA-N
MW579.66 g/mol
LogP7.85
Rot. Bonds7

About 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea (PubChem CID 67253608) has the molecular formula C31H26FN7O2S and a molecular weight of 579.66 g/mol. Its IUPAC name is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea
PubChem CID67253608
Molecular FormulaC31H26FN7O2S
Molecular Weight579.66 g/mol
Exact Mass579.19
IUPAC Name1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea
SMILESCC(C)c1nc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C31H26FN7O2S/c1-18(2)30-37-29(28(42-30)20-6-8-25-19(13-20)5-4-11-33-25)38-31(40)36-26-9-7-22(14-24(26)32)41-23-10-12-34-27(15-23)21-16-35-39(3)17-21/h4-18H,1-3H3,(H2,36,38,40)
InChIKeyUGQOFXDEZJJMRF-UHFFFAOYSA-N
XLogP7.85
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.66
LogP ≤ 57.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea with MolForge

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Related Compounds

1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)urea
CID 66729319
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[2-propan-2-yl-5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3-oxazol-4-yl]urea
CID 67252561
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrol-3-yl]urea
CID 67252569
1-(1-tert-butyl-3-isoquinolin-6-ylpyrazol-4-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69295495
1-(3-cyclopentyl-1-methylpyrazol-5-yl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25242544
1-[[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 59322773
1-[2-fluoro-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(5-propan-2-yl-3-pyridinyl)urea
CID 66729200
1-(3-chloro-5-morpholin-4-ylphenyl)-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 66729164
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[5-methyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)-3-pyridinyl]urea
CID 67252698
1-[1-tert-butyl-3-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrazol-4-yl]-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 69297119
1-(1-tert-butylpyrazol-4-yl)-3-[2-fluoro-4-[[2-[1-(2-hydroxyethyl)pyrazol-4-yl]-4-pyridinyl]oxy]phenyl]urea
CID 66729261
1-[3-tert-butyl-1-(3-cyanophenyl)pyrazol-5-yl]-3-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25106061

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea?
The IUPAC name of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea (CID 67253608) is 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea.
What is the SMILES notation for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea?
The canonical SMILES for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea is CC(C)c1nc(NC(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2F)c(-c2ccc3ncccc3c2)s1.
What is the InChIKey of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea?
The InChIKey is UGQOFXDEZJJMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN7O2S/c1-18(2)30-37-29(28(42-30)20-6-8-25-19(13-20)5-4-11-33-25)38-31(40)36-26-9-7-22(14-24(26)32)41-23-10-12-34-27(15-23)21-16-35-39(3)17-21/h4-18H,1-3H3,(H2,36,38,40).
What are the key properties of 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea?
1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea has a molecular weight of 579.66 g/mol, XLogP of 7.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(2-propan-2-yl-5-quinolin-6-yl-1,3-thiazol-4-yl)urea is sourced from PubChem (CID 67253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).