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

C19H17N7O — CID 23657635

IUPAC3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
InChIKeyADCQRIVAZWFZCZ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.25
Rot. Bonds5

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

3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (PubChem CID 23657635) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
PubChem CID23657635
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide
SMILESCc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25)
InChIKeyADCQRIVAZWFZCZ-UHFFFAOYSA-N
XLogP3.25
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide (CID 23657635) is 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
The InChIKey is ADCQRIVAZWFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-11-5-6-15-14(10-22-26-15)17(11)24-16-7-8-21-19(25-16)23-13-4-2-3-12(9-13)18(20)27/h2-10H,1H3,(H2,20,27)(H,22,26)(H2,21,23,24,25).
What are the key properties of 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide?
3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 23657635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).