6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine

C18H22FN7O — CID 75150958

IUPAC6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
SMILESCCC1COCCN1c1cc(-c2cc(F)c3c(N)n[nH]c3c2)nc(NC)n1
InChIInChI=1S/C18H22FN7O/c1-3-11-9-27-5-4-26(11)15-8-13(22-18(21-2)23-15)10-6-12(19)16-14(7-10)24-25-17(16)20/h6-8,11H,3-5,9H2,1-2H3,(H3,20,24,25)(H,21,22,23)
InChIKeyOFBODNKGVQAIPC-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.40
Rot. Bonds4

About 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine

6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine (PubChem CID 75150958) has the molecular formula C18H22FN7O and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine.

Molecular Properties

Compound Name6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
PubChem CID75150958
Molecular FormulaC18H22FN7O
Molecular Weight371.42 g/mol
Exact Mass371.19
IUPAC Name6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine
SMILESCCC1COCCN1c1cc(-c2cc(F)c3c(N)n[nH]c3c2)nc(NC)n1
InChIInChI=1S/C18H22FN7O/c1-3-11-9-27-5-4-26(11)15-8-13(22-18(21-2)23-15)10-6-12(19)16-14(7-10)24-25-17(16)20/h6-8,11H,3-5,9H2,1-2H3,(H3,20,24,25)(H,21,22,23)
InChIKeyOFBODNKGVQAIPC-UHFFFAOYSA-N
XLogP2.40
TPSA104.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine?
The IUPAC name of 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine (CID 75150958) is 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine.
What is the SMILES notation for 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine?
The canonical SMILES for 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine is CCC1COCCN1c1cc(-c2cc(F)c3c(N)n[nH]c3c2)nc(NC)n1.
What is the InChIKey of 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine?
The InChIKey is OFBODNKGVQAIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN7O/c1-3-11-9-27-5-4-26(11)15-8-13(22-18(21-2)23-15)10-6-12(19)16-14(7-10)24-25-17(16)20/h6-8,11H,3-5,9H2,1-2H3,(H3,20,24,25)(H,21,22,23).
What are the key properties of 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine?
6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine has a molecular weight of 371.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-ethylmorpholin-4-yl)-2-(methylamino)pyrimidin-4-yl]-4-fluoro-1H-indazol-3-amine is sourced from PubChem (CID 75150958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).