N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C29H26FN7O2 — CID 122630509

IUPACN-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C29H26FN7O2/c30-25-5-8-31-16-24(25)26-4-2-21(15-33-26)34-29(39)28-23-12-19(1-3-27(23)35-36-28)20-11-18(13-32-14-20)17-37-9-6-22(38)7-10-37/h1-5,8,11-16,22,38H,6-7,9-10,17H2,(H,34,39)(H,35,36)
InChIKeyZYRHXVZERUUBJV-UHFFFAOYSA-N
MW523.57 g/mol
LogP4.43
Rot. Bonds6

About N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 122630509) has the molecular formula C29H26FN7O2 and a molecular weight of 523.57 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID122630509
Molecular FormulaC29H26FN7O2
Molecular Weight523.57 g/mol
Exact Mass523.21
IUPAC NameN-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2cnccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C29H26FN7O2/c30-25-5-8-31-16-24(25)26-4-2-21(15-33-26)34-29(39)28-23-12-19(1-3-27(23)35-36-28)20-11-18(13-32-14-20)17-37-9-6-22(38)7-10-37/h1-5,8,11-16,22,38H,6-7,9-10,17H2,(H,34,39)(H,35,36)
InChIKeyZYRHXVZERUUBJV-UHFFFAOYSA-N
XLogP4.43
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.57
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 122630509) is N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2cnccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is ZYRHXVZERUUBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7O2/c30-25-5-8-31-16-24(25)26-4-2-21(15-33-26)34-29(39)28-23-12-19(1-3-27(23)35-36-28)20-11-18(13-32-14-20)17-37-9-6-22(38)7-10-37/h1-5,8,11-16,22,38H,6-7,9-10,17H2,(H,34,39)(H,35,36).
What are the key properties of N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-3-pyridinyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 122630509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).