8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide

C24H24FN7O — CID 130428804

IUPAC8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(C(C)CCNc3cc(-c4cnc(N)c(F)c4)ncn3)cccc12
InChIInChI=1S/C24H24FN7O/c1-14(16-4-3-5-17-18(24(33)27-2)7-9-29-22(16)17)6-8-28-21-11-20(31-13-32-21)15-10-19(25)23(26)30-12-15/h3-5,7,9-14H,6,8H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31,32)
InChIKeyVIIFNHDQGUTASK-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.77
Rot. Bonds7

About 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide

8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide (PubChem CID 130428804) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
PubChem CID130428804
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1ccnc2c(C(C)CCNc3cc(-c4cnc(N)c(F)c4)ncn3)cccc12
InChIInChI=1S/C24H24FN7O/c1-14(16-4-3-5-17-18(24(33)27-2)7-9-29-22(16)17)6-8-28-21-11-20(31-13-32-21)15-10-19(25)23(26)30-12-15/h3-5,7,9-14H,6,8H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31,32)
InChIKeyVIIFNHDQGUTASK-UHFFFAOYSA-N
XLogP3.77
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-8-[4-[[6-(3,4,5-trifluorophenyl)pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 123449488
8-[4-[[6-(5,6-dimethoxy-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 123357830
4-[6-[3-[4-(methylcarbamoyl)quinolin-8-yl]butylamino]pyrimidin-4-yl]benzoic acid
CID 135217671
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-[4-[[6-(6-oxo-1H-pyridin-3-yl)pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 135217640
N-methyl-8-[4-[[6-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 130428549
8-[(2S)-1-[[6-(3,5-difluoro-4-propan-2-yloxyphenyl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982835
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-[4-[[6-[6-[2-(2-oxoimidazolidin-1-yl)ethylamino]-3-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 135217317
N-methyl-8-[4-[[6-[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]pyrimidin-4-yl]amino]butan-2-yl]quinoline-4-carboxamide
CID 130428830
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-[2-(dimethylamino)pyrimidin-5-yl]pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide
CID 118982808

Frequently Asked Questions

What is the IUPAC name of 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide (CID 130428804) is 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide is CNC(=O)c1ccnc2c(C(C)CCNc3cc(-c4cnc(N)c(F)c4)ncn3)cccc12.
What is the InChIKey of 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide?
The InChIKey is VIIFNHDQGUTASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-14(16-4-3-5-17-18(24(33)27-2)7-9-29-22(16)17)6-8-28-21-11-20(31-13-32-21)15-10-19(25)23(26)30-12-15/h3-5,7,9-14H,6,8H2,1-2H3,(H2,26,30)(H,27,33)(H,28,31,32).
What are the key properties of 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide?
8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[6-(6-amino-5-fluoro-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 130428804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).