5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid

C19H13FN6O3 — CID 59723582

IUPAC5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2[nH]1
InChIInChI=1S/C19H13FN6O3/c20-11-5-9-6-15(19(28)29)23-13(9)7-10(11)17-21-2-1-12(24-17)14-8-16-18(27)22-3-4-26(16)25-14/h1-2,5-8,23H,3-4H2,(H,22,27)(H,28,29)
InChIKeyQOLKIWVPVAKTKR-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.07
Rot. Bonds3

About 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid

5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid (PubChem CID 59723582) has the molecular formula C19H13FN6O3 and a molecular weight of 392.35 g/mol. Its IUPAC name is 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid
PubChem CID59723582
Molecular FormulaC19H13FN6O3
Molecular Weight392.35 g/mol
Exact Mass392.10
IUPAC Name5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(F)c(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2[nH]1
InChIInChI=1S/C19H13FN6O3/c20-11-5-9-6-15(19(28)29)23-13(9)7-10(11)17-21-2-1-12(24-17)14-8-16-18(27)22-3-4-26(16)25-14/h1-2,5-8,23H,3-4H2,(H,22,27)(H,28,29)
InChIKeyQOLKIWVPVAKTKR-UHFFFAOYSA-N
XLogP2.07
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid with MolForge

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Related Compounds

1-[7-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]pyrazole-3-carboxylic acid
CID 25024122
5-{2-(Ethylcarbamoyl)-4-[3-(Trifluoromethyl)-1h-Pyrazol-1-Yl]-1h-Pyrrolo[2,3-B]pyridin-5-Yl}pyridine-3-Carboxylic Acid
CID 57411983
SSTR3 Antagonist 3A
CID 86279005
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534
US8785489, 4-[({[1-methyl-5-(2-pyrimidin-4-yl-1H-indol-5-yl)-1H-pyrazol-3-yl]carbonyl}amino)methyl]benzoic acid
CID 86766582
US10759793, Example 79
CID 124125740
US10030027, Example 143B
CID 129242937
US8785489, 4-{[({5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridin-2-yl}carbonyl)amino]methyl}benzoic acid
CID 135887081
US8785489, 4-{[({4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]pyridin-2-yl}carbonyl)amino]methyl}benzoic acid
CID 135887183
US8785489, 4-{[({1-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
CID 135930332
4-[1-ethyl-3-[3-(phenylcarbamoylamino)phenyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 57394914
5-[2-(propylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylic acid
CID 62705686

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid?
The IUPAC name of 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid (CID 59723582) is 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(F)c(-c3nccc(-c4cc5n(n4)CCNC5=O)n3)cc2[nH]1.
What is the InChIKey of 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid?
The InChIKey is QOLKIWVPVAKTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O3/c20-11-5-9-6-15(19(28)29)23-13(9)7-10(11)17-21-2-1-12(24-17)14-8-16-18(27)22-3-4-26(16)25-14/h1-2,5-8,23H,3-4H2,(H,22,27)(H,28,29).
What are the key properties of 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid?
5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid has a molecular weight of 392.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)pyrimidin-2-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 59723582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).