4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

C23H23FN6O3 — CID 118171878

IUPAC4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cc(C(C)C)no2)c(C)c1NC(=O)c1cc(C(N)=O)nc2cc(F)ccc12
InChIInChI=1S/C23H23FN6O3/c1-11(2)18-8-15(33-29-18)10-30-13(4)21(12(3)28-30)27-23(32)17-9-20(22(25)31)26-19-7-14(24)5-6-16(17)19/h5-9,11H,10H2,1-4H3,(H2,25,31)(H,27,32)
InChIKeyACRPDBZPDCSLER-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.70
Rot. Bonds6

About 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (PubChem CID 118171878) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
PubChem CID118171878
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
SMILESCc1nn(Cc2cc(C(C)C)no2)c(C)c1NC(=O)c1cc(C(N)=O)nc2cc(F)ccc12
InChIInChI=1S/C23H23FN6O3/c1-11(2)18-8-15(33-29-18)10-30-13(4)21(12(3)28-30)27-23(32)17-9-20(22(25)31)26-19-7-14(24)5-6-16(17)19/h5-9,11H,10H2,1-4H3,(H2,25,31)(H,27,32)
InChIKeyACRPDBZPDCSLER-UHFFFAOYSA-N
XLogP3.70
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-[[4-[(2-carbamoyl-7-fluoroquinoline-4-carbonyl)amino]-3,5-dimethylpyrazol-1-yl]methyl]-1,2-oxazole-3-carboxylate
CID 118172470
2-N-[3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171978
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
7-fluoro-4-N-[5-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172414
4-N-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 126561323
4-N-[5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770586
7-fluoro-4-N-[5-methyl-1-[[4-(2,2,2-trifluoroethyl)phenyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 126512493
4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171535
4-N-[1-[[3-(1-hydroxyethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172657
4-N-[1-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 158744063
4-N-[1-[(3-cyano-2-pyridinyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 126561232
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531

Frequently Asked Questions

What is the IUPAC name of 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The IUPAC name of 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide (CID 118171878) is 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The canonical SMILES for 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is Cc1nn(Cc2cc(C(C)C)no2)c(C)c1NC(=O)c1cc(C(N)=O)nc2cc(F)ccc12.
What is the InChIKey of 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
The InChIKey is ACRPDBZPDCSLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-11(2)18-8-15(33-29-18)10-30-13(4)21(12(3)28-30)27-23(32)17-9-20(22(25)31)26-19-7-14(24)5-6-16(17)19/h5-9,11H,10H2,1-4H3,(H2,25,31)(H,27,32).
What are the key properties of 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide?
4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide is sourced from PubChem (CID 118171878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).