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

C20H19N7O2 — CID 15980284

IUPAC2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C20H19N7O2/c1-21-19(28)12-29-14-5-2-4-13(10-14)24-20-22-9-8-18(26-20)25-16-6-3-7-17-15(16)11-23-27-17/h2-11H,12H2,1H3,(H,21,28)(H,23,27)(H2,22,24,25,26)
InChIKeyTZAPCXJXHZYHMI-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.96
Rot. Bonds7

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

2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide (PubChem CID 15980284) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
PubChem CID15980284
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
InChIInChI=1S/C20H19N7O2/c1-21-19(28)12-29-14-5-2-4-13(10-14)24-20-22-9-8-18(26-20)25-16-6-3-7-17-15(16)11-23-27-17/h2-11H,12H2,1H3,(H,21,28)(H,23,27)(H2,22,24,25,26)
InChIKeyTZAPCXJXHZYHMI-UHFFFAOYSA-N
XLogP2.96
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide 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 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide (CID 15980284) is 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1.
What is the InChIKey of 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide?
The InChIKey is TZAPCXJXHZYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-21-19(28)12-29-14-5-2-4-13(10-14)24-20-22-9-8-18(26-20)25-16-6-3-7-17-15(16)11-23-27-17/h2-11H,12H2,1H3,(H,21,28)(H,23,27)(H2,22,24,25,26).
What are the key properties of 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide?
2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide has a molecular weight of 389.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide is sourced from PubChem (CID 15980284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).