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

C30H27FN6O2 — CID 89451272

IUPACN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-23-4-1-20(2-5-23)27-8-6-24(17-33-27)34-30(39)29-26-14-21(3-7-28(26)35-36-29)22-13-19(15-32-16-22)18-37-11-9-25(38)10-12-37/h1-8,13-17,25,38H,9-12,18H2,(H,34,39)(H,35,36)
InChIKeyMWGYSHQICCBOPJ-UHFFFAOYSA-N
MW522.58 g/mol
LogP5.03
Rot. Bonds6

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

N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451272) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451272
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC NameN-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-23-4-1-20(2-5-23)27-8-6-24(17-33-27)34-30(39)29-26-14-21(3-7-28(26)35-36-29)22-13-19(15-32-16-22)18-37-11-9-25(38)10-12-37/h1-8,13-17,25,38H,9-12,18H2,(H,34,39)(H,35,36)
InChIKeyMWGYSHQICCBOPJ-UHFFFAOYSA-N
XLogP5.03
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451272) is N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MWGYSHQICCBOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c31-23-4-1-20(2-5-23)27-8-6-24(17-33-27)34-30(39)29-26-14-21(3-7-28(26)35-36-29)22-13-19(15-32-16-22)18-37-11-9-25(38)10-12-37/h1-8,13-17,25,38H,9-12,18H2,(H,34,39)(H,35,36).
What are the key properties of N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 5.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).