5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide

C25H22FN7O2 — CID 156501657

IUPAC5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide
SMILESCn1ncc2c(NC(=O)c3nn(C4CCCCO4)c4ccc(-c5cccnc5F)cc34)ccnc21
InChIInChI=1S/C25H22FN7O2/c1-32-24-18(14-29-32)19(9-11-28-24)30-25(34)22-17-13-15(16-5-4-10-27-23(16)26)7-8-20(17)33(31-22)21-6-2-3-12-35-21/h4-5,7-11,13-14,21H,2-3,6,12H2,1H3,(H,28,30,34)
InChIKeyDNERSXCNLPMTFC-UHFFFAOYSA-N
MW471.50 g/mol
LogP4.47
Rot. Bonds4

About 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide

5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide (PubChem CID 156501657) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide
PubChem CID156501657
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide
SMILESCn1ncc2c(NC(=O)c3nn(C4CCCCO4)c4ccc(-c5cccnc5F)cc34)ccnc21
InChIInChI=1S/C25H22FN7O2/c1-32-24-18(14-29-32)19(9-11-28-24)30-25(34)22-17-13-15(16-5-4-10-27-23(16)26)7-8-20(17)33(31-22)21-6-2-3-12-35-21/h4-5,7-11,13-14,21H,2-3,6,12H2,1H3,(H,28,30,34)
InChIKeyDNERSXCNLPMTFC-UHFFFAOYSA-N
XLogP4.47
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide (CID 156501657) is 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide is Cn1ncc2c(NC(=O)c3nn(C4CCCCO4)c4ccc(-c5cccnc5F)cc34)ccnc21.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
The InChIKey is DNERSXCNLPMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-32-24-18(14-29-32)19(9-11-28-24)30-25(34)22-17-13-15(16-5-4-10-27-23(16)26)7-8-20(17)33(31-22)21-6-2-3-12-35-21/h4-5,7-11,13-14,21H,2-3,6,12H2,1H3,(H,28,30,34).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide has a molecular weight of 471.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 156501657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).