2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

C21H25N5O3 — CID 78321789

IUPAC2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1
InChIInChI=1S/C21H25N5O3/c1-21(5-6-21)29-14-3-4-17-16(9-14)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-15(11-26)12-27-2/h3-4,9-10,13,15H,5-8,11-12H2,1-2H3,(H,24,25)
InChIKeyRUFYUDVUCCWXGO-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.80
Rot. Bonds6

About 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine

2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 78321789) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID78321789
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESCOCC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1
InChIInChI=1S/C21H25N5O3/c1-21(5-6-21)29-14-3-4-17-16(9-14)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-15(11-26)12-27-2/h3-4,9-10,13,15H,5-8,11-12H2,1-2H3,(H,24,25)
InChIKeyRUFYUDVUCCWXGO-UHFFFAOYSA-N
XLogP2.80
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 78321789) is 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is COCC1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is RUFYUDVUCCWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-21(5-6-21)29-14-3-4-17-16(9-14)20(25-24-17)18-10-19(23-13-22-18)26-7-8-28-15(11-26)12-27-2/h3-4,9-10,13,15H,5-8,11-12H2,1-2H3,(H,24,25).
What are the key properties of 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 395.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 78321789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).