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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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 57340689
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-2-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531981
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(6-(trifluoromethyl)pyridin-3-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11569498
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]benzamide
CID 24896610
6-(cyclohexyl(cyclopropylmethyl)amino)-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 25182901
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635855

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).