N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

C21H20N6O — CID 118010949

IUPACN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1nc(C)cc(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C21H20N6O/c1-13-7-20(24-17-4-6-19-15(8-17)10-22-26-19)25-21(23-13)27-11-14-3-5-18(28-2)9-16(14)12-27/h3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyLORUKWDAVJYKND-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 118010949) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID118010949
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1nc(C)cc(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C21H20N6O/c1-13-7-20(24-17-4-6-19-15(8-17)10-22-26-19)25-21(23-13)27-11-14-3-5-18(28-2)9-16(14)12-27/h3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyLORUKWDAVJYKND-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine (CID 118010949) is N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is COc1ccc2c(c1)CN(c1nc(C)cc(Nc3ccc4[nH]ncc4c3)n1)C2.
What is the InChIKey of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is LORUKWDAVJYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-7-20(24-17-4-6-19-15(8-17)10-22-26-19)25-21(23-13)27-11-14-3-5-18(28-2)9-16(14)12-27/h3-10H,11-12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 372.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-6-methylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 118010949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).