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

C30H27FN6O2 — CID 89450557

IUPACN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-23-5-4-6-25(15-23)39-28-10-8-24(18-33-28)34-30(38)29-26-14-21(7-9-27(26)35-36-29)22-13-20(16-32-17-22)19-37-11-2-1-3-12-37/h4-10,13-18H,1-3,11-12,19H2,(H,34,38)(H,35,36)
InChIKeyWPAKXTHMXLHPEI-UHFFFAOYSA-N
MW522.58 g/mol
LogP6.19
Rot. Bonds7

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

N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450557) has the molecular formula C30H27FN6O2 and a molecular weight of 522.58 g/mol. Its IUPAC name is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89450557
Molecular FormulaC30H27FN6O2
Molecular Weight522.58 g/mol
Exact Mass522.22
IUPAC NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
InChIInChI=1S/C30H27FN6O2/c31-23-5-4-6-25(15-23)39-28-10-8-24(18-33-28)34-30(38)29-26-14-21(7-9-27(26)35-36-29)22-13-20(16-32-17-22)19-37-11-2-1-3-12-37/h4-10,13-18H,1-3,11-12,19H2,(H,34,38)(H,35,36)
InChIKeyWPAKXTHMXLHPEI-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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450557) is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.
What is the InChIKey of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is WPAKXTHMXLHPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O2/c31-23-5-4-6-25(15-23)39-28-10-8-24(18-33-28)34-30(38)29-26-14-21(7-9-27(26)35-36-29)22-13-20(16-32-17-22)19-37-11-2-1-3-12-37/h4-10,13-18H,1-3,11-12,19H2,(H,34,38)(H,35,36).
What are the key properties of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3-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-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).