N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C29H25FN6O3 — CID 89451101

IUPACN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C29H25FN6O3/c30-22-2-1-3-24(14-22)39-27-7-5-23(17-32-27)33-29(37)28-25-13-20(4-6-26(25)34-35-28)21-12-19(15-31-16-21)18-36-8-10-38-11-9-36/h1-7,12-17H,8-11,18H2,(H,33,37)(H,34,35)
InChIKeyPZWAWRXJHUAJER-UHFFFAOYSA-N
MW524.56 g/mol
LogP5.04
Rot. Bonds7

About N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451101) has the molecular formula C29H25FN6O3 and a molecular weight of 524.56 g/mol. Its IUPAC name is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451101
Molecular FormulaC29H25FN6O3
Molecular Weight524.56 g/mol
Exact Mass524.20
IUPAC NameN-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C29H25FN6O3/c30-22-2-1-3-24(14-22)39-27-7-5-23(17-32-27)33-29(37)28-25-13-20(4-6-26(25)34-35-28)21-12-19(15-31-16-21)18-36-8-10-38-11-9-36/h1-7,12-17H,8-11,18H2,(H,33,37)(H,34,35)
InChIKeyPZWAWRXJHUAJER-UHFFFAOYSA-N
XLogP5.04
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451101) is N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is PZWAWRXJHUAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O3/c30-22-2-1-3-24(14-22)39-27-7-5-23(17-32-27)33-29(37)28-25-13-20(4-6-26(25)34-35-28)21-12-19(15-31-16-21)18-36-8-10-38-11-9-36/h1-7,12-17H,8-11,18H2,(H,33,37)(H,34,35).
What are the key properties of N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 524.56 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).