3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide

C18H15N7O — CID 25138037

IUPAC3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C18H15N7O/c19-17(26)11-2-1-3-13(8-11)23-18-20-7-6-16(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
InChIKeyQVGRISFHWIHDLD-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.94
Rot. Bonds5

About 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide

3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide (PubChem CID 25138037) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide
PubChem CID25138037
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)c1
InChIInChI=1S/C18H15N7O/c19-17(26)11-2-1-3-13(8-11)23-18-20-7-6-16(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
InChIKeyQVGRISFHWIHDLD-UHFFFAOYSA-N
XLogP2.94
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide (CID 25138037) is 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2nccc(Nc3ccc4[nH]ncc4c3)n2)c1.
What is the InChIKey of 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is QVGRISFHWIHDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-17(26)11-2-1-3-13(8-11)23-18-20-7-6-16(24-18)22-14-4-5-15-12(9-14)10-21-25-15/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24).
What are the key properties of 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide?
3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide has a molecular weight of 345.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 25138037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).