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

C21H19FN6O — CID 166920643

IUPACN-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1nc(-c2ccc3c(c2)CN(C)C3)ncc1F
InChIInChI=1S/C21H19FN6O/c1-28-10-13-4-3-12(5-15(13)11-28)20-23-9-16(22)21(26-20)25-18-6-14-8-24-27-17(14)7-19(18)29-2/h3-9H,10-11H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyQAWNQSYCWSLBTB-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.86
Rot. Bonds4

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

N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine (PubChem CID 166920643) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
PubChem CID166920643
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC NameN-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1nc(-c2ccc3c(c2)CN(C)C3)ncc1F
InChIInChI=1S/C21H19FN6O/c1-28-10-13-4-3-12(5-15(13)11-28)20-23-9-16(22)21(26-20)25-18-6-14-8-24-27-17(14)7-19(18)29-2/h3-9H,10-11H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyQAWNQSYCWSLBTB-UHFFFAOYSA-N
XLogP3.86
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine?
The IUPAC name of N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine (CID 166920643) is N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine.
What is the SMILES notation for N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine?
The canonical SMILES for N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine is COc1cc2[nH]ncc2cc1Nc1nc(-c2ccc3c(c2)CN(C)C3)ncc1F.
What is the InChIKey of N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine?
The InChIKey is QAWNQSYCWSLBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-28-10-13-4-3-12(5-15(13)11-28)20-23-9-16(22)21(26-20)25-18-6-14-8-24-27-17(14)7-19(18)29-2/h3-9H,10-11H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine?
N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine has a molecular weight of 390.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-6-methoxy-1H-indazol-5-amine is sourced from PubChem (CID 166920643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).