N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide

C34H30N8O3 — CID 170673221

IUPACN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)Cc5cccc(O)c5)cccc4C3=O)cccc12
InChIInChI=1S/C34H30N8O3/c1-19-16-36-34(38-29-13-20(2)41(3)40-29)39-31(19)25-17-35-32-23(25)9-6-12-28(32)42-18-26-24(33(42)45)10-5-11-27(26)37-30(44)15-21-7-4-8-22(43)14-21/h4-14,16-17,35,43H,15,18H2,1-3H3,(H,37,44)(H,36,38,39,40)
InChIKeyGUVKDFITRIXZCF-UHFFFAOYSA-N
MW598.67 g/mol
LogP5.77
Rot. Bonds7

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

N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 170673221) has the molecular formula C34H30N8O3 and a molecular weight of 598.67 g/mol. Its IUPAC name is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID170673221
Molecular FormulaC34H30N8O3
Molecular Weight598.67 g/mol
Exact Mass598.24
IUPAC NameN-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)Cc5cccc(O)c5)cccc4C3=O)cccc12
InChIInChI=1S/C34H30N8O3/c1-19-16-36-34(38-29-13-20(2)41(3)40-29)39-31(19)25-17-35-32-23(25)9-6-12-28(32)42-18-26-24(33(42)45)10-5-11-27(26)37-30(44)15-21-7-4-8-22(43)14-21/h4-14,16-17,35,43H,15,18H2,1-3H3,(H,37,44)(H,36,38,39,40)
InChIKeyGUVKDFITRIXZCF-UHFFFAOYSA-N
XLogP5.77
TPSA141.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.67
LogP ≤ 55.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide (CID 170673221) is N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(NC(=O)Cc5cccc(O)c5)cccc4C3=O)cccc12.
What is the InChIKey of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is GUVKDFITRIXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N8O3/c1-19-16-36-34(38-29-13-20(2)41(3)40-29)39-31(19)25-17-35-32-23(25)9-6-12-28(32)42-18-26-24(33(42)45)10-5-11-27(26)37-30(44)15-21-7-4-8-22(43)14-21/h4-14,16-17,35,43H,15,18H2,1-3H3,(H,37,44)(H,36,38,39,40).
What are the key properties of N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide?
N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 598.67 g/mol, XLogP of 5.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-1-oxo-3H-isoindol-4-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 170673221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).