N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide

C24H22N8O — CID 156697410

IUPACN-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c([C@@H](C)CNc3cc(-c4cnc5ccnn5c4)ncn3)cccc12
InChIInChI=1S/C24H22N8O/c1-15(17-4-3-5-18-19(24(33)25-2)6-8-26-23(17)18)11-27-21-10-20(29-14-30-21)16-12-28-22-7-9-31-32(22)13-16/h3-10,12-15H,11H2,1-2H3,(H,25,33)(H,27,29,30)/t15-/m0/s1
InChIKeyWKFJFGXTLUEZOI-HNNXBMFYSA-N
MW438.50 g/mol
LogP3.31
Rot. Bonds6

About N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide

N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide (PubChem CID 156697410) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
PubChem CID156697410
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC NameN-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c([C@@H](C)CNc3cc(-c4cnc5ccnn5c4)ncn3)cccc12
InChIInChI=1S/C24H22N8O/c1-15(17-4-3-5-18-19(24(33)25-2)6-8-26-23(17)18)11-27-21-10-20(29-14-30-21)16-12-28-22-7-9-31-32(22)13-16/h3-10,12-15H,11H2,1-2H3,(H,25,33)(H,27,29,30)/t15-/m0/s1
InChIKeyWKFJFGXTLUEZOI-HNNXBMFYSA-N
XLogP3.31
TPSA109.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide 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

N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
CID 156697391
8-[(2S)-1-[[6-[2-(dimethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982808
N-methyl-8-[1-[[6-[6-[2-(methylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 130428762
N-methyl-8-[(2S)-1-[[6-[5-methyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982913
8-[(2S)-1-[[6-[5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982910
N-methyl-8-[1-[[6-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 175115105
N-methyl-8-[1-[[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 123955080
8-[(2S)-1-[[6-[6-amino-5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;sulfane
CID 158899251
N-methyl-8-[(2S)-1-[[6-[6-(2-pyrrol-1-ylethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982721
8-[(2S)-1-[[6-[6-[2-(2-hydroxyethylamino)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982725
8-[1-[[6-[6-(hydroxymethyl)-5-methoxy-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 123592013
N-methyl-8-[(2S)-1-[[6-[2-(propan-2-yloxymethyl)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide;sulfane
CID 160747089

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide (CID 156697410) is N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide is CNC(=O)c1ccnc2c([C@@H](C)CNc3cc(-c4cnc5ccnn5c4)ncn3)cccc12.
What is the InChIKey of N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The InChIKey is WKFJFGXTLUEZOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-15(17-4-3-5-18-19(24(33)25-2)6-8-26-23(17)18)11-27-21-10-20(29-14-30-21)16-12-28-22-7-9-31-32(22)13-16/h3-10,12-15H,11H2,1-2H3,(H,25,33)(H,27,29,30)/t15-/m0/s1.
What are the key properties of N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 156697410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).