[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate

C23H18N6O2 — CID 69296183

IUPAC[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate
SMILESCC(=O)Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12
InChIInChI=1S/C23H18N6O2/c1-15(30)31-21-7-4-6-19-22(21)23(26-14-25-19)28-17-8-9-20-16(11-17)12-27-29(20)13-18-5-2-3-10-24-18/h2-12,14H,13H2,1H3,(H,25,26,28)
InChIKeyPRYCFWPCNQGBGS-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.09
Rot. Bonds5

About [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate

[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate (PubChem CID 69296183) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate.

Molecular Properties

Compound Name[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate
PubChem CID69296183
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate
SMILESCC(=O)Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12
InChIInChI=1S/C23H18N6O2/c1-15(30)31-21-7-4-6-19-22(21)23(26-14-25-19)28-17-8-9-20-16(11-17)12-27-29(20)13-18-5-2-3-10-24-18/h2-12,14H,13H2,1H3,(H,25,26,28)
InChIKeyPRYCFWPCNQGBGS-UHFFFAOYSA-N
XLogP4.09
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[(2R)-2-[[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 11853988
5-[[(2R)-piperidin-2-yl]methoxy]-N-[1-(pyridin-2-ylmethyl)indazol-5-yl]quinazolin-4-amine
CID 68947786
(2S)-2-[4-[[1-(1,3-thiazol-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxypropanoic acid
CID 68618394
2-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]quinazolin-5-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 68619614
7-methoxy-4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazoline-2-carboxamide
CID 173150227
2-hydroxy-1-[(2R)-2-[[4-[[1-(1,3-thiazol-4-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl]oxymethyl]piperidin-1-yl]ethanone
CID 68944059
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
sodium 2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxyacetate
CID 69491065
(2R)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanamide
CID 11568615
methyl (2S)-2-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615532
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-methoxyquinazolin-4-amine
CID 141314754
4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxybutanamide
CID 69491882

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate?
The IUPAC name of [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate (CID 69296183) is [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate.
What is the SMILES notation for [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate?
The canonical SMILES for [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate is CC(=O)Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12.
What is the InChIKey of [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate?
The InChIKey is PRYCFWPCNQGBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-15(30)31-21-7-4-6-19-22(21)23(26-14-25-19)28-17-8-9-20-16(11-17)12-27-29(20)13-18-5-2-3-10-24-18/h2-12,14H,13H2,1H3,(H,25,26,28).
What are the key properties of [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate?
[4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate has a molecular weight of 410.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(pyridin-2-ylmethyl)indazol-5-yl]amino]quinazolin-5-yl] acetate is sourced from PubChem (CID 69296183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).