N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

C21H19FN6O — CID 52948541

IUPACN-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESFc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H19FN6O/c22-16-3-1-2-14(10-16)19-12-20(26-21(25-19)28-6-8-29-9-7-28)24-17-4-5-18-15(11-17)13-23-27-18/h1-5,10-13H,6-9H2,(H,23,27)(H,24,25,26)
InChIKeyXRLXHWWKOVHLBR-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.74
Rot. Bonds4

About N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 52948541) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID52948541
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESFc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H19FN6O/c22-16-3-1-2-14(10-16)19-12-20(26-21(25-19)28-6-8-29-9-7-28)24-17-4-5-18-15(11-17)13-23-27-18/h1-5,10-13H,6-9H2,(H,23,27)(H,24,25,26)
InChIKeyXRLXHWWKOVHLBR-UHFFFAOYSA-N
XLogP3.74
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (CID 52948541) is N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is Fc1cccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is XRLXHWWKOVHLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c22-16-3-1-2-14(10-16)19-12-20(26-21(25-19)28-6-8-29-9-7-28)24-17-4-5-18-15(11-17)13-23-27-18/h1-5,10-13H,6-9H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 390.42 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 52948541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).