N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine

C21H20N6O — CID 52944867

IUPACN-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
SMILESc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-13-20(25-21(24-19)27-8-10-28-11-9-27)23-17-6-7-18-16(12-17)14-22-26-18/h1-7,12-14H,8-11H2,(H,22,26)(H,23,24,25)
InChIKeyLRCFRJREBUCJCQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.60
Rot. Bonds4

About N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine

N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine (PubChem CID 52944867) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
PubChem CID52944867
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
SMILESc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-13-20(25-21(24-19)27-8-10-28-11-9-27)23-17-6-7-18-16(12-17)14-22-26-18/h1-7,12-14H,8-11H2,(H,22,26)(H,23,24,25)
InChIKeyLRCFRJREBUCJCQ-UHFFFAOYSA-N
XLogP3.60
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine?
The IUPAC name of N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine (CID 52944867) is N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine?
The canonical SMILES for N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine is c1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine?
The InChIKey is LRCFRJREBUCJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-13-20(25-21(24-19)27-8-10-28-11-9-27)23-17-6-7-18-16(12-17)14-22-26-18/h1-7,12-14H,8-11H2,(H,22,26)(H,23,24,25).
What are the key properties of N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine?
N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine has a molecular weight of 372.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine is sourced from PubChem (CID 52944867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).