6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

C26H23F2N7O — CID 44540695

IUPAC6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C26H23F2N7O/c27-26(28)6-10-35(11-7-26)15-17-2-1-3-21(32-17)25(36)33-22-12-16(13-23-20(22)14-31-34-23)18-4-8-29-24-19(18)5-9-30-24/h1-5,8-9,12-14H,6-7,10-11,15H2,(H,29,30)(H,31,34)(H,33,36)
InChIKeyDFXBATVITOFOCE-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.98
Rot. Bonds5

About 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide

6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (PubChem CID 44540695) has the molecular formula C26H23F2N7O and a molecular weight of 487.51 g/mol. Its IUPAC name is 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
PubChem CID44540695
Molecular FormulaC26H23F2N7O
Molecular Weight487.51 g/mol
Exact Mass487.19
IUPAC Name6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCC(F)(F)CC2)n1
InChIInChI=1S/C26H23F2N7O/c27-26(28)6-10-35(11-7-26)15-17-2-1-3-21(32-17)25(36)33-22-12-16(13-23-20(22)14-31-34-23)18-4-8-29-24-19(18)5-9-30-24/h1-5,8-9,12-14H,6-7,10-11,15H2,(H,29,30)(H,31,34)(H,33,36)
InChIKeyDFXBATVITOFOCE-UHFFFAOYSA-N
XLogP4.98
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide (CID 44540695) is 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cc(-c2ccnc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DFXBATVITOFOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N7O/c27-26(28)6-10-35(11-7-26)15-17-2-1-3-21(32-17)25(36)33-22-12-16(13-23-20(22)14-31-34-23)18-4-8-29-24-19(18)5-9-30-24/h1-5,8-9,12-14H,6-7,10-11,15H2,(H,29,30)(H,31,34)(H,33,36).
What are the key properties of 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide?
6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluoropiperidin-1-yl)methyl]-N-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 44540695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).