N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H27FN6O2 — CID 89450615

IUPACN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-25-6-2-3-7-27(25)39-28-11-9-23(18-33-28)34-30(38)29-24-15-21(8-10-26(24)35-36-29)22-14-20(16-32-17-22)19-37-12-4-1-5-13-37/h2-3,6-11,14-18H,1,4-5,12-13,19H2,(H,34,38)(H,35,36)
InChIKeyJQJPCDHQEJIXCN-UHFFFAOYSA-N
MW522.58 g/mol
LogP6.19
Rot. Bonds7

About N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450615) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450615
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC NameN-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-25-6-2-3-7-27(25)39-28-11-9-23(18-33-28)34-30(38)29-24-15-21(8-10-26(24)35-36-29)22-14-20(16-32-17-22)19-37-12-4-1-5-13-37/h2-3,6-11,14-18H,1,4-5,12-13,19H2,(H,34,38)(H,35,36)
InChIKeyJQJPCDHQEJIXCN-UHFFFAOYSA-N
XLogP6.19
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.58
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450615) is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is JQJPCDHQEJIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c31-25-6-2-3-7-27(25)39-28-11-9-23(18-33-28)34-30(38)29-24-15-21(8-10-26(24)35-36-29)22-14-20(16-32-17-22)19-37-12-4-1-5-13-37/h2-3,6-11,14-18H,1,4-5,12-13,19H2,(H,34,38)(H,35,36).
What are the key properties of N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 522.58 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).