6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide

C18H16F2N4O2 — CID 71112455

IUPAC6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16F2N4O2/c19-11-2-3-12-15(8-11)23-24-17(12)18(25)22-14-4-1-10(7-13(14)20)16-9-21-5-6-26-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyXQQSAQSHEVFKOP-INIZCTEOSA-N
MW358.35 g/mol
LogP2.75
Rot. Bonds3

About 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide

6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide (PubChem CID 71112455) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
PubChem CID71112455
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12
InChIInChI=1S/C18H16F2N4O2/c19-11-2-3-12-15(8-11)23-24-17(12)18(25)22-14-4-1-10(7-13(14)20)16-9-21-5-6-26-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyXQQSAQSHEVFKOP-INIZCTEOSA-N
XLogP2.75
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide (CID 71112455) is 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)cc1F)c1n[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide?
The InChIKey is XQQSAQSHEVFKOP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-11-2-3-12-15(8-11)23-24-17(12)18(25)22-14-4-1-10(7-13(14)20)16-9-21-5-6-26-16/h1-4,7-8,16,21H,5-6,9H2,(H,22,25)(H,23,24)/t16-/m0/s1.
What are the key properties of 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide?
6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71112455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).