3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

C20H19N7O — CID 52948307

IUPAC3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C20H19N7O/c1-27(2)19(28)13-5-3-6-14(11-13)23-20-21-10-9-18(25-20)24-16-7-4-8-17-15(16)12-22-26-17/h3-12H,1-2H3,(H,22,26)(H2,21,23,24,25)
InChIKeyQGOCMYWLKNVDRG-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.54
Rot. Bonds5

About 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide

3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (PubChem CID 52948307) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
PubChem CID52948307
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C20H19N7O/c1-27(2)19(28)13-5-3-6-14(11-13)23-20-21-10-9-18(25-20)24-16-7-4-8-17-15(16)12-22-26-17/h3-12H,1-2H3,(H,22,26)(H2,21,23,24,25)
InChIKeyQGOCMYWLKNVDRG-UHFFFAOYSA-N
XLogP3.54
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide (CID 52948307) is 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1.
What is the InChIKey of 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is QGOCMYWLKNVDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-27(2)19(28)13-5-3-6-14(11-13)23-20-21-10-9-18(25-20)24-16-7-4-8-17-15(16)12-22-26-17/h3-12H,1-2H3,(H,22,26)(H2,21,23,24,25).
What are the key properties of 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide?
3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 52948307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).