7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one

C26H24N8O — CID 170672760

IUPAC7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4cccc(N)c4C3=O)cccc12
InChIInChI=1S/C26H24N8O/c1-14-11-29-26(30-21-10-15(2)33(3)32-21)31-23(14)18-12-28-24-17(18)7-5-9-20(24)34-13-16-6-4-8-19(27)22(16)25(34)35/h4-12,28H,13,27H2,1-3H3,(H,29,30,31,32)
InChIKeyBSCNLZMCKQNRHH-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.46
Rot. Bonds4

About 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one

7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one (PubChem CID 170672760) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one
PubChem CID170672760
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4cccc(N)c4C3=O)cccc12
InChIInChI=1S/C26H24N8O/c1-14-11-29-26(30-21-10-15(2)33(3)32-21)31-23(14)18-12-28-24-17(18)7-5-9-20(24)34-13-16-6-4-8-19(27)22(16)25(34)35/h4-12,28H,13,27H2,1-3H3,(H,29,30,31,32)
InChIKeyBSCNLZMCKQNRHH-UHFFFAOYSA-N
XLogP4.46
TPSA117.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one?
The IUPAC name of 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one (CID 170672760) is 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one.
What is the SMILES notation for 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one?
The canonical SMILES for 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4cccc(N)c4C3=O)cccc12.
What is the InChIKey of 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one?
The InChIKey is BSCNLZMCKQNRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O/c1-14-11-29-26(30-21-10-15(2)33(3)32-21)31-23(14)18-12-28-24-17(18)7-5-9-20(24)34-13-16-6-4-8-19(27)22(16)25(34)35/h4-12,28H,13,27H2,1-3H3,(H,29,30,31,32).
What are the key properties of 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one?
7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one has a molecular weight of 464.53 g/mol, XLogP of 4.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-3H-isoindol-1-one is sourced from PubChem (CID 170672760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).