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

C26H23FN6O2 — CID 175758541

IUPAC5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide
SMILESCn1ncc2c(NC(=O)c3cn(C4CCCCO4)c4ccc(-c5cccnc5F)cc34)ccnc21
InChIInChI=1S/C26H23FN6O2/c1-32-25-19(14-30-32)21(9-11-29-25)31-26(34)20-15-33(23-6-2-3-12-35-23)22-8-7-16(13-18(20)22)17-5-4-10-28-24(17)27/h4-5,7-11,13-15,23H,2-3,6,12H2,1H3,(H,29,31,34)
InChIKeyDVLLZVJMEQYIGQ-UHFFFAOYSA-N
MW470.51 g/mol
LogP5.08
Rot. Bonds4

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

5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide (PubChem CID 175758541) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide
PubChem CID175758541
Molecular FormulaC26H23FN6O2
Molecular Weight470.51 g/mol
Exact Mass470.19
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide
SMILESCn1ncc2c(NC(=O)c3cn(C4CCCCO4)c4ccc(-c5cccnc5F)cc34)ccnc21
InChIInChI=1S/C26H23FN6O2/c1-32-25-19(14-30-32)21(9-11-29-25)31-26(34)20-15-33(23-6-2-3-12-35-23)22-8-7-16(13-18(20)22)17-5-4-10-28-24(17)27/h4-5,7-11,13-15,23H,2-3,6,12H2,1H3,(H,29,31,34)
InChIKeyDVLLZVJMEQYIGQ-UHFFFAOYSA-N
XLogP5.08
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)indole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide (CID 175758541) is 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-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)indole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide is Cn1ncc2c(NC(=O)c3cn(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)indole-3-carboxamide?
The InChIKey is DVLLZVJMEQYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-32-25-19(14-30-32)21(9-11-29-25)31-26(34)20-15-33(23-6-2-3-12-35-23)22-8-7-16(13-18(20)22)17-5-4-10-28-24(17)27/h4-5,7-11,13-15,23H,2-3,6,12H2,1H3,(H,29,31,34).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-(1-methylpyrazolo[3,4-b]pyridin-4-yl)-1-(oxan-2-yl)indole-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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)indole-3-carboxamide is sourced from PubChem (CID 175758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).