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

C20H23N5O2 — CID 78319902

IUPAC(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1
InChIInChI=1S/C20H23N5O2/c1-13-11-25(7-8-26-13)18-10-17(21-12-22-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)23-24-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyCUVZGGCTBOIZBH-CYBMUJFWSA-N
MW365.44 g/mol
LogP3.18
Rot. Bonds4

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

(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (PubChem CID 78319902) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
PubChem CID78319902
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
SMILESC[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1
InChIInChI=1S/C20H23N5O2/c1-13-11-25(7-8-26-13)18-10-17(21-12-22-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)23-24-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKeyCUVZGGCTBOIZBH-CYBMUJFWSA-N
XLogP3.18
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine (CID 78319902) is (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is C[C@@H]1CN(c2cc(-c3n[nH]c4ccc(OC5(C)CC5)cc34)ncn2)CCO1.
What is the InChIKey of (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
The InChIKey is CUVZGGCTBOIZBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-11-25(7-8-26-13)18-10-17(21-12-22-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)23-24-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,24)/t13-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine?
(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine has a molecular weight of 365.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 78319902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).