N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide

C25H23N7O — CID 156697391

IUPACN-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(C(C)CNc3cc(-c4cnc5cccn5c4)ncn3)cccc12
InChIInChI=1S/C25H23N7O/c1-16(18-5-3-6-19-20(25(33)26-2)8-9-27-24(18)19)12-28-22-11-21(30-15-31-22)17-13-29-23-7-4-10-32(23)14-17/h3-11,13-16H,12H2,1-2H3,(H,26,33)(H,28,30,31)
InChIKeyDMEMGIKDLRLIOM-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.91
Rot. Bonds6

About N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide

N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide (PubChem CID 156697391) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
PubChem CID156697391
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC NameN-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(C(C)CNc3cc(-c4cnc5cccn5c4)ncn3)cccc12
InChIInChI=1S/C25H23N7O/c1-16(18-5-3-6-19-20(25(33)26-2)8-9-27-24(18)19)12-28-22-11-21(30-15-31-22)17-13-29-23-7-4-10-32(23)14-17/h3-11,13-16H,12H2,1-2H3,(H,26,33)(H,28,30,31)
InChIKeyDMEMGIKDLRLIOM-UHFFFAOYSA-N
XLogP3.91
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-8-[(2R)-1-[(6-pyrazolo[1,5-a]pyrimidin-6-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide
CID 156697410
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
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-[6-(2-pyrrol-1-ylethylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982721
N-methyl-8-[(2S)-1-[[6-[5-methyl-6-(methylamino)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide
CID 118982913
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
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-[(2S)-1-[[6-[5-(hydroxymethyl)-3-pyridinyl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982910
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-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide (CID 156697391) is N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide is CNC(=O)c1ccnc2c(C(C)CNc3cc(-c4cnc5cccn5c4)ncn3)cccc12.
What is the InChIKey of N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
The InChIKey is DMEMGIKDLRLIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-16(18-5-3-6-19-20(25(33)26-2)8-9-27-24(18)19)12-28-22-11-21(30-15-31-22)17-13-29-23-7-4-10-32(23)14-17/h3-11,13-16H,12H2,1-2H3,(H,26,33)(H,28,30,31).
What are the key properties of N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide?
N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[1-[(6-pyrrolo[1,2-a]pyrimidin-3-ylpyrimidin-4-yl)amino]propan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 156697391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).