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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Related Compounds

Gsk 343
CID 71268957
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
(E)-N-(3-((6-(1H-Indol-3-yl)pyrimidin-4-yl)amino)phenyl)-4-(4-(dimethylamino)but-2-enamido)benzamide
CID 134451950
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
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-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
CID 71562418
N,4-dimethyl-3-({1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}amino)benzamide
CID 23400214
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
B-Raf IN 1
CID 24884503
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
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764

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).