2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid

C26H28N10O3 — CID 155102870

IUPAC2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid
SMILESCN(C)Cc1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cn3)CC2)nc2c1ncn2CC(=O)O
InChIInChI=1S/C26H28N10O3/c1-32(2)14-17-4-3-5-20-19(17)13-29-36(20)25-23-24(35(16-28-23)15-22(38)39)30-26(31-25)34-10-8-33(9-11-34)21-7-6-18(37)12-27-21/h3-7,12-13,16,37H,8-11,14-15H2,1-2H3,(H,38,39)
InChIKeyDCMDJQXVANMAMZ-UHFFFAOYSA-N
MW528.58 g/mol
LogP1.74
Rot. Bonds7

About 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid

2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid (PubChem CID 155102870) has the molecular formula C26H28N10O3 and a molecular weight of 528.58 g/mol. Its IUPAC name is 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid
PubChem CID155102870
Molecular FormulaC26H28N10O3
Molecular Weight528.58 g/mol
Exact Mass528.23
IUPAC Name2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid
SMILESCN(C)Cc1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cn3)CC2)nc2c1ncn2CC(=O)O
InChIInChI=1S/C26H28N10O3/c1-32(2)14-17-4-3-5-20-19(17)13-29-36(20)25-23-24(35(16-28-23)15-22(38)39)30-26(31-25)34-10-8-33(9-11-34)21-7-6-18(37)12-27-21/h3-7,12-13,16,37H,8-11,14-15H2,1-2H3,(H,38,39)
InChIKeyDCMDJQXVANMAMZ-UHFFFAOYSA-N
XLogP1.74
TPSA141.56 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid?
The IUPAC name of 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid (CID 155102870) is 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid.
What is the SMILES notation for 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid?
The canonical SMILES for 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid is CN(C)Cc1cccc2c1cnn2-c1nc(N2CCN(c3ccc(O)cn3)CC2)nc2c1ncn2CC(=O)O.
What is the InChIKey of 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid?
The InChIKey is DCMDJQXVANMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N10O3/c1-32(2)14-17-4-3-5-20-19(17)13-29-36(20)25-23-24(35(16-28-23)15-22(38)39)30-26(31-25)34-10-8-33(9-11-34)21-7-6-18(37)12-27-21/h3-7,12-13,16,37H,8-11,14-15H2,1-2H3,(H,38,39).
What are the key properties of 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid?
2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid has a molecular weight of 528.58 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(dimethylamino)methyl]indazol-1-yl]-2-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]purin-9-yl]acetic acid is sourced from PubChem (CID 155102870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).