N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide

C41H44FN5O7 — CID 129280636

IUPACN-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(NC(=O)C4=CC(C5=NC=C(C)C(=O)C5)=CN(CC5CCOCC5)C4)cc3F)c2)ccc1OC[C@H]1COCCO1
InChIInChI=1S/C41H44FN5O7/c1-25-18-44-36(17-37(25)48)29-13-30(22-47(21-29)20-26-7-9-51-10-8-26)41(49)46-31-4-5-33(35(42)16-31)34-14-28(19-45-40(34)43)27-3-6-38(39(15-27)50-2)54-24-32-23-52-11-12-53-32/h3-6,13-16,18-19,21,26,32H,7-12,17,20,22-24H2,1-2H3,(H2,43,45)(H,46,49)/t32-/m1/s1
InChIKeyFNFWWEXSEMGOSG-JGCGQSQUSA-N
MW737.83 g/mol
LogP5.75
Rot. Bonds11

About N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide

N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide (PubChem CID 129280636) has the molecular formula C41H44FN5O7 and a molecular weight of 737.83 g/mol. Its IUPAC name is N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide
PubChem CID129280636
Molecular FormulaC41H44FN5O7
Molecular Weight737.83 g/mol
Exact Mass737.32
IUPAC NameN-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide
SMILESCOc1cc(-c2cnc(N)c(-c3ccc(NC(=O)C4=CC(C5=NC=C(C)C(=O)C5)=CN(CC5CCOCC5)C4)cc3F)c2)ccc1OC[C@H]1COCCO1
InChIInChI=1S/C41H44FN5O7/c1-25-18-44-36(17-37(25)48)29-13-30(22-47(21-29)20-26-7-9-51-10-8-26)41(49)46-31-4-5-33(35(42)16-31)34-14-28(19-45-40(34)43)27-3-6-38(39(15-27)50-2)54-24-32-23-52-11-12-53-32/h3-6,13-16,18-19,21,26,32H,7-12,17,20,22-24H2,1-2H3,(H2,43,45)(H,46,49)/t32-/m1/s1
InChIKeyFNFWWEXSEMGOSG-JGCGQSQUSA-N
XLogP5.75
TPSA146.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.83
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-4H-pyridine-3-carboxamide;phosphoric acid;hydrate
CID 175027973
N-[4-[2-amino-5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-3-hydroxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-2-pyridinyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 118657286
2-[4-[2-amino-5-[4-[[(2S)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]phenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 175919992
N-[6-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]pyridazin-3-yl]-5-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129135107
4-[[3-[2-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]acetyl]-5-(4-methylphenyl)-4-oxo-1-pyridinyl]methyl]oxane-4-carbonitrile
CID 157307929
5-[6-amino-5-(4-amino-2-fluorophenyl)-3-pyridinyl]-2-[[(2R)-1,4-dioxan-2-yl]methoxy]phenol
CID 129135660
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(2-fluoro-4-methylcyclohexa-2,4-dien-1-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300144
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-bromophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110706
N-[4-[2-amino-5-(3,4-dimethoxyphenyl)-3-pyridinyl]phenyl]-5-(4-cyanophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129300293
N-[4-[2-amino-5-[3-methoxy-4-[(3R)-1-(oxetan-3-ylmethyl)-2-oxopyrrolidin-3-yl]oxyphenyl]-3-pyridinyl]-3-fluorophenyl]-1-(cyclobutylmethyl)-5-(4-fluorophenyl)-4-oxopyridine-3-carboxamide
CID 164578932
N-[4-[2-amino-5-[4-(1,3-dioxolan-4-ylmethoxy)-3-methoxyphenyl]-1,2-dihydropyridin-3-yl]-3-fluorophenyl]-5-(5-methyl-1,2-dihydropyridin-2-yl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 163826775
N-[4-[2-amino-5-(1-ethylpyrazol-4-yl)-3-pyridinyl]-3-fluorophenyl]-5-(4-methylphenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide
CID 129110694

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide (CID 129280636) is N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide is COc1cc(-c2cnc(N)c(-c3ccc(NC(=O)C4=CC(C5=NC=C(C)C(=O)C5)=CN(CC5CCOCC5)C4)cc3F)c2)ccc1OC[C@H]1COCCO1.
What is the InChIKey of N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide?
The InChIKey is FNFWWEXSEMGOSG-JGCGQSQUSA-N. The full InChI is InChI=1S/C41H44FN5O7/c1-25-18-44-36(17-37(25)48)29-13-30(22-47(21-29)20-26-7-9-51-10-8-26)41(49)46-31-4-5-33(35(42)16-31)34-14-28(19-45-40(34)43)27-3-6-38(39(15-27)50-2)54-24-32-23-52-11-12-53-32/h3-6,13-16,18-19,21,26,32H,7-12,17,20,22-24H2,1-2H3,(H2,43,45)(H,46,49)/t32-/m1/s1.
What are the key properties of N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide?
N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide has a molecular weight of 737.83 g/mol, XLogP of 5.75, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-5-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-3-methoxyphenyl]-3-pyridinyl]-3-fluorophenyl]-5-(5-methyl-4-oxo-3H-pyridin-2-yl)-1-(oxan-4-ylmethyl)-2H-pyridine-3-carboxamide is sourced from PubChem (CID 129280636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).