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

C23H22FN7O2 — CID 134289164

IUPAC8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1c(F)cnc2c(CCNc3cc(-c4cnc(OC)c(N)c4)ncn3)cccc12
InChIInChI=1S/C23H22FN7O2/c1-26-22(32)20-15-5-3-4-13(21(15)28-11-16(20)24)6-7-27-19-9-18(30-12-31-19)14-8-17(25)23(33-2)29-10-14/h3-5,8-12H,6-7,25H2,1-2H3,(H,26,32)(H,27,30,31)
InChIKeyJIICBLBKOXYSMI-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.83
Rot. Bonds7

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

8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 134289164) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
PubChem CID134289164
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC Name8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
SMILESCNC(=O)c1c(F)cnc2c(CCNc3cc(-c4cnc(OC)c(N)c4)ncn3)cccc12
InChIInChI=1S/C23H22FN7O2/c1-26-22(32)20-15-5-3-4-13(21(15)28-11-16(20)24)6-7-27-19-9-18(30-12-31-19)14-8-17(25)23(33-2)29-10-14/h3-5,8-12H,6-7,25H2,1-2H3,(H,26,32)(H,27,30,31)
InChIKeyJIICBLBKOXYSMI-UHFFFAOYSA-N
XLogP2.83
TPSA127.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

8-[2-[[6-[(1E,3Z)-1,4-diaminopenta-1,3-dien-2-yl]pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 134289132
8-[2-[[6-[2-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 134289176
8-[2-[[6-[6-[[1-(2,2-difluoroethyl)piperidin-4-yl]-methylamino]-3-pyridinyl]pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 134289157
3-fluoro-8-[4-[[6-(2-methoxypyrimidin-5-yl)pyrimidin-4-yl]amino]-3-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123334667
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134288939
8-[(3S)-4-[[6-(6-cyano-5-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylbutan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 144832050
3-fluoro-8-[4-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]-3-methylsulfanylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123316579
N-methyl-8-[2-[[6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidin-4-yl]amino]ethyl]quinoline-4-carboxamide
CID 134289217
8-[4-[[6-(5,6-dimethoxy-3-pyridinyl)pyrimidin-4-yl]amino]butan-2-yl]-N-methylquinoline-4-carboxamide
CID 123357830
8-[2-[[6-(2-methoxy-6-methyl-4-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 130428802
3-fluoro-8-[(2S)-1-[[6-(2-methoxy-1,3-thiazol-4-yl)pyrimidin-4-yl]amino]propan-2-yl]-N-methylquinoline-4-carboxamide;sulfane
CID 159432586
8-[1-[[6-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]propan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 123462947

Frequently Asked Questions

What is the IUPAC name of 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide (CID 134289164) is 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide is CNC(=O)c1c(F)cnc2c(CCNc3cc(-c4cnc(OC)c(N)c4)ncn3)cccc12.
What is the InChIKey of 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is JIICBLBKOXYSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c1-26-22(32)20-15-5-3-4-13(21(15)28-11-16(20)24)6-7-27-19-9-18(30-12-31-19)14-8-17(25)23(33-2)29-10-14/h3-5,8-12H,6-7,25H2,1-2H3,(H,26,32)(H,27,30,31).
What are the key properties of 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide?
8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[[6-(5-amino-6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-3-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 134289164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).