3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide

C23H21N7O2 — CID 163567225

IUPAC3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide
SMILESCc1cccc(-c2nn3c(c2Oc2ccnc(Nc4cccc(C(N)=O)c4)n2)CCC3)n1
InChIInChI=1S/C23H21N7O2/c1-14-5-2-8-17(26-14)20-21(18-9-4-12-30(18)29-20)32-19-10-11-25-23(28-19)27-16-7-3-6-15(13-16)22(24)31/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H2,24,31)(H,25,27,28)
InChIKeyFWFXZYHHBPDGFS-UHFFFAOYSA-N
MW427.47 g/mol
LogP3.62
Rot. Bonds6

About 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide

3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide (PubChem CID 163567225) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide
PubChem CID163567225
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide
SMILESCc1cccc(-c2nn3c(c2Oc2ccnc(Nc4cccc(C(N)=O)c4)n2)CCC3)n1
InChIInChI=1S/C23H21N7O2/c1-14-5-2-8-17(26-14)20-21(18-9-4-12-30(18)29-20)32-19-10-11-25-23(28-19)27-16-7-3-6-15(13-16)22(24)31/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H2,24,31)(H,25,27,28)
InChIKeyFWFXZYHHBPDGFS-UHFFFAOYSA-N
XLogP3.62
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[3-[2-(2-methylpropylamino)pyrimidin-4-yl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl]benzamide
CID 175031909
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
4-[4,4,5,5,6,6-hexadeuterio-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide
CID 131708758
[3-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166035746
7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
CID 69204158
3-[[4-(2-hydroxy-6-methylanilino)pyrimidin-2-yl]amino]benzamide
CID 25138020
3-[[4-(3-hydroxy-4-methylanilino)pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 57392873
3-[[4-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]benzamide
CID 59588181
methyl 3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112901585
N-(1-azabicyclo[3.2.1]octan-5-yl)-3-[(4-methylpyrimidin-2-yl)amino]benzamide
CID 167853458
3-[[4-[methyl-(3-methyl-2H-indazol-6-yl)amino]pyrimidin-2-yl]amino]benzamide
CID 10270685
2-[4-[[4-[[2-(3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 147251424

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide (CID 163567225) is 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide is Cc1cccc(-c2nn3c(c2Oc2ccnc(Nc4cccc(C(N)=O)c4)n2)CCC3)n1.
What is the InChIKey of 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide?
The InChIKey is FWFXZYHHBPDGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-14-5-2-8-17(26-14)20-21(18-9-4-12-30(18)29-20)32-19-10-11-25-23(28-19)27-16-7-3-6-15(13-16)22(24)31/h2-3,5-8,10-11,13H,4,9,12H2,1H3,(H2,24,31)(H,25,27,28).
What are the key properties of 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide?
3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide has a molecular weight of 427.47 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 163567225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).