1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid

C13H10FN3O2 — CID 150823064

IUPAC1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(F)C=CC(c2n[nH]c3cccnc23)=CC1
InChIInChI=1S/C13H10FN3O2/c14-13(12(18)19)5-3-8(4-6-13)10-11-9(16-17-10)2-1-7-15-11/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyKKIOLJMDDYELAD-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.09
Rot. Bonds2

About 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid

1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 150823064) has the molecular formula C13H10FN3O2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid
PubChem CID150823064
Molecular FormulaC13H10FN3O2
Molecular Weight259.24 g/mol
Exact Mass259.08
IUPAC Name1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid
SMILESO=C(O)C1(F)C=CC(c2n[nH]c3cccnc23)=CC1
InChIInChI=1S/C13H10FN3O2/c14-13(12(18)19)5-3-8(4-6-13)10-11-9(16-17-10)2-1-7-15-11/h1-5,7H,6H2,(H,16,17)(H,18,19)
InChIKeyKKIOLJMDDYELAD-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-1H-pyrazolo[4,3-b]pyridine
CID 121451461
3-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine
CID 169082807
2-(methylamino)-1-(1H-pyrazolo[4,3-b]pyridin-3-yl)ethanone
CID 84662554
N-[4-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)phenyl]acetamide
CID 123833221
3-cyclopenta-1,4-dien-1-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzothiazol-6-amine
CID 134194976
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
N-(3,3-difluorocyclobutyl)-N-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinoline-1-carboxamide
CID 134294228
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-2-pyrimidin-5-ylacetamide
CID 167874851
3-propan-2-yl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 84672253
2-(3-fluoro-3-methylcyclobutyl)-1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzoxazol-3-yl]ethanone
CID 159340222
16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid
CID 23596279
2-(1H-indazol-3-yl)-1,10-phenanthroline
CID 71243200

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid?
The IUPAC name of 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid (CID 150823064) is 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid.
What is the SMILES notation for 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid?
The canonical SMILES for 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid is O=C(O)C1(F)C=CC(c2n[nH]c3cccnc23)=CC1.
What is the InChIKey of 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid?
The InChIKey is KKIOLJMDDYELAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2/c14-13(12(18)19)5-3-8(4-6-13)10-11-9(16-17-10)2-1-7-15-11/h1-5,7H,6H2,(H,16,17)(H,18,19).
What are the key properties of 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid?
1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 259.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1H-pyrazolo[4,3-b]pyridin-3-yl)cyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 150823064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).