5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide

C24H22FN5O2 — CID 170094248

IUPAC5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
SMILESCC1(O)CC(n2nc(-c3ccc4ccc(-c5ccccc5F)nc4c3)c(C(N)=O)c2N)C1
InChIInChI=1S/C24H22FN5O2/c1-24(32)11-15(12-24)30-22(26)20(23(27)31)21(29-30)14-7-6-13-8-9-18(28-19(13)10-14)16-4-2-3-5-17(16)25/h2-10,15,32H,11-12,26H2,1H3,(H2,27,31)
InChIKeyOUDDUYGHHLEEKW-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.67
Rot. Bonds4

About 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide

5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide (PubChem CID 170094248) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
PubChem CID170094248
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide
SMILESCC1(O)CC(n2nc(-c3ccc4ccc(-c5ccccc5F)nc4c3)c(C(N)=O)c2N)C1
InChIInChI=1S/C24H22FN5O2/c1-24(32)11-15(12-24)30-22(26)20(23(27)31)21(29-30)14-7-6-13-8-9-18(28-19(13)10-14)16-4-2-3-5-17(16)25/h2-10,15,32H,11-12,26H2,1H3,(H2,27,31)
InChIKeyOUDDUYGHHLEEKW-UHFFFAOYSA-N
XLogP3.67
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide (CID 170094248) is 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide is CC1(O)CC(n2nc(-c3ccc4ccc(-c5ccccc5F)nc4c3)c(C(N)=O)c2N)C1.
What is the InChIKey of 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
The InChIKey is OUDDUYGHHLEEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-24(32)11-15(12-24)30-22(26)20(23(27)31)21(29-30)14-7-6-13-8-9-18(28-19(13)10-14)16-4-2-3-5-17(16)25/h2-10,15,32H,11-12,26H2,1H3,(H2,27,31).
What are the key properties of 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide?
5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[2-(2-fluorophenyl)quinolin-7-yl]-1-(3-hydroxy-3-methylcyclobutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 170094248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).