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

C20H18N6O — CID 91669217

IUPACN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1nccc(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C20H18N6O/c1-27-17-4-2-13-11-26(12-15(13)9-17)20-21-7-6-19(24-20)23-16-3-5-18-14(8-16)10-22-25-18/h2-10H,11-12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeySWHUIIODYNUMNO-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.63
Rot. Bonds4

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

N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 91669217) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID91669217
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc2c(c1)CN(c1nccc(Nc3ccc4[nH]ncc4c3)n1)C2
InChIInChI=1S/C20H18N6O/c1-27-17-4-2-13-11-26(12-15(13)9-17)20-21-7-6-19(24-20)23-16-3-5-18-14(8-16)10-22-25-18/h2-10H,11-12H2,1H3,(H,22,25)(H,21,23,24)
InChIKeySWHUIIODYNUMNO-UHFFFAOYSA-N
XLogP3.63
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.63
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)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 91669217) is N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine is COc1ccc2c(c1)CN(c1nccc(Nc3ccc4[nH]ncc4c3)n1)C2.
What is the InChIKey of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is SWHUIIODYNUMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-27-17-4-2-13-11-26(12-15(13)9-17)20-21-7-6-19(24-20)23-16-3-5-18-14(8-16)10-22-25-18/h2-10H,11-12H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(5-methoxy-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 358.41 g/mol, XLogP of 3.63, 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)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 91669217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).