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

C21H20N6O — CID 118437234

IUPACN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1ncc(C)c(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C21H20N6O/c1-13-9-22-21(27-11-14-3-5-18(28-2)8-16(14)12-27)25-20(13)24-17-4-6-19-15(7-17)10-23-26-19/h3-10H,11-12H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeySEXIHZWZLSQPGH-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.93
Rot. Bonds4

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

N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 118437234) 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)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID118437234
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1ncc(C)c(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C21H20N6O/c1-13-9-22-21(27-11-14-3-5-18(28-2)8-16(14)12-27)25-20(13)24-17-4-6-19-15(7-17)10-23-26-19/h3-10H,11-12H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeySEXIHZWZLSQPGH-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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Related Compounds

CID 74223726
CID 74223726
CID 44577753
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CID 118010994
CID 118010994
CID 23332045
CID 23332045
CID 44279443
CID 44279443
CID 44531722
CID 44531722
CID 90400782
CID 90400782
CID 25093249
CID 25093249
CID 137551961
CID 137551961
CID 44523367
CID 44523367
CID 44531724
CID 44531724
CID 57390415
CID 57390415

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine (CID 118437234) is N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine is COc1ccc2c(c1)CN(c1ncc(C)c(Nc3ccc4[nH]ncc4c3)n1)C2.
What is the InChIKey of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is SEXIHZWZLSQPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-9-22-21(27-11-14-3-5-18(28-2)8-16(14)12-27)25-20(13)24-17-4-6-19-15(7-17)10-23-26-19/h3-10H,11-12H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)-5-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)-5-methylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 118437234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).