4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

C23H19FN4O3 — CID 73295763

IUPAC4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCc1cccc(N(C)C)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21
InChIInChI=1S/C23H19FN4O3/c1-13-6-4-7-17(27(2)3)19(13)22(29)28-18-8-5-11-25-21(18)20(26-28)15-10-9-14(23(30)31)12-16(15)24/h4-12H,1-3H3,(H,30,31)
InChIKeyULWLHAACQVHNPR-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.00
Rot. Bonds4

About 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 73295763) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID73295763
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESCc1cccc(N(C)C)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21
InChIInChI=1S/C23H19FN4O3/c1-13-6-4-7-17(27(2)3)19(13)22(29)28-18-8-5-11-25-21(18)20(26-28)15-10-9-14(23(30)31)12-16(15)24/h4-12H,1-3H3,(H,30,31)
InChIKeyULWLHAACQVHNPR-UHFFFAOYSA-N
XLogP4.00
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 73295763) is 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is Cc1cccc(N(C)C)c1C(=O)n1nc(-c2ccc(C(=O)O)cc2F)c2ncccc21.
What is the InChIKey of 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is ULWLHAACQVHNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-13-6-4-7-17(27(2)3)19(13)22(29)28-18-8-5-11-25-21(18)20(26-28)15-10-9-14(23(30)31)12-16(15)24/h4-12H,1-3H3,(H,30,31).
What are the key properties of 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 418.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(dimethylamino)-6-methylbenzoyl]pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73295763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).