4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide

C18H15N7O — CID 164613616

IUPAC4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C18H15N7O/c19-17(26)11-1-4-13(5-2-11)23-18-20-8-7-16(24-18)22-14-6-3-12-10-21-25-15(12)9-14/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
InChIKeyQYCHRTWPPMNODY-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.94
Rot. Bonds5

About 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide

4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide (PubChem CID 164613616) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide
PubChem CID164613616
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)cc1
InChIInChI=1S/C18H15N7O/c19-17(26)11-1-4-13(5-2-11)23-18-20-8-7-16(24-18)22-14-6-3-12-10-21-25-15(12)9-14/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24)
InChIKeyQYCHRTWPPMNODY-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

N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
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
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
Diarylurea deriv. 14a
CID 5330597
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-{[4-(1H-1,2,3-benzotriazol-7-ylamino)pyrimidin-2-yl]amino}benzamide
CID 25138042
3-({4-[(6-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138045
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629
N-[2-Phenyl-4-(1h-Pyrazol-3-Ylamino)quinazolin-7-Yl]prop-2-Enamide
CID 49867019

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide (CID 164613616) is 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nccc(Nc3ccc4cn[nH]c4c3)n2)cc1.
What is the InChIKey of 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide?
The InChIKey is QYCHRTWPPMNODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c19-17(26)11-1-4-13(5-2-11)23-18-20-8-7-16(24-18)22-14-6-3-12-10-21-25-15(12)9-14/h1-10H,(H2,19,26)(H,21,25)(H2,20,22,23,24).
What are the key properties of 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide?
4-[[4-(1H-indazol-6-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 4-[[4-(1H-indazol-6-ylamino)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 164613616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).