1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H23FN6O — CID 41466733

IUPAC1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cnc21
InChIInChI=1S/C23H23FN6O/c1-14(2)29-22-15(12-26-29)11-17(13-25-22)27-23(31)21-19-5-3-4-6-20(19)30(28-21)18-9-7-16(24)8-10-18/h7-14H,3-6H2,1-2H3,(H,27,31)
InChIKeyUJAGAOFMKJNHGF-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.47
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 41466733) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID41466733
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)n1ncc2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cnc21
InChIInChI=1S/C23H23FN6O/c1-14(2)29-22-15(12-26-29)11-17(13-25-22)27-23(31)21-19-5-3-4-6-20(19)30(28-21)18-9-7-16(24)8-10-18/h7-14H,3-6H2,1-2H3,(H,27,31)
InChIKeyUJAGAOFMKJNHGF-UHFFFAOYSA-N
XLogP4.47
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 41466733) is 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)n1ncc2cc(NC(=O)c3nn(-c4ccc(F)cc4)c4c3CCCC4)cnc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UJAGAOFMKJNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-14(2)29-22-15(12-26-29)11-17(13-25-22)27-23(31)21-19-5-3-4-6-20(19)30(28-21)18-9-7-16(24)8-10-18/h7-14H,3-6H2,1-2H3,(H,27,31).
What are the key properties of 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 41466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).