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

C28H23FN6O3 — CID 89451090

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C28H23FN6O3/c29-20-2-5-23(6-3-20)38-26-8-4-21(16-31-26)32-28(36)27-24-14-18(1-7-25(24)33-34-27)19-13-22(17-30-15-19)35-9-11-37-12-10-35/h1-8,13-17H,9-12H2,(H,32,36)(H,33,34)
InChIKeyBOJLGAMRDVRSFK-UHFFFAOYSA-N
MW510.53 g/mol
LogP5.04
Rot. Bonds6

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

N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451090) has the molecular formula C28H23FN6O3 and a molecular weight of 510.53 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89451090
Molecular FormulaC28H23FN6O3
Molecular Weight510.53 g/mol
Exact Mass510.18
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
InChIInChI=1S/C28H23FN6O3/c29-20-2-5-23(6-3-20)38-26-8-4-21(16-31-26)32-28(36)27-24-14-18(1-7-25(24)33-34-27)19-13-22(17-30-15-19)35-9-11-37-12-10-35/h1-8,13-17H,9-12H2,(H,32,36)(H,33,34)
InChIKeyBOJLGAMRDVRSFK-UHFFFAOYSA-N
XLogP5.04
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.53
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-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451090) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is BOJLGAMRDVRSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6O3/c29-20-2-5-23(6-3-20)38-26-8-4-21(16-31-26)32-28(36)27-24-14-18(1-7-25(24)33-34-27)19-13-22(17-30-15-19)35-9-11-37-12-10-35/h1-8,13-17H,9-12H2,(H,32,36)(H,33,34).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 510.53 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).