4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine

C37H28F4N10 — CID 157281382

IUPAC4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
SMILESCC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H15F2N7.C16H13F2N3/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3/t11-;/m1./s1
InChIKeyAZRZGDJKMISEKQ-RFVHGSKJSA-N
MW688.69 g/mol
LogP7.59
Rot. Bonds6

About 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine

4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine (PubChem CID 157281382) has the molecular formula C37H28F4N10 and a molecular weight of 688.69 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
PubChem CID157281382
Molecular FormulaC37H28F4N10
Molecular Weight688.69 g/mol
Exact Mass688.24
IUPAC Name4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine
SMILESCC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H15F2N7.C16H13F2N3/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3/t11-;/m1./s1
InChIKeyAZRZGDJKMISEKQ-RFVHGSKJSA-N
XLogP7.59
TPSA165.20 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.69
LogP ≤ 57.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine with MolForge

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Related Compounds

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7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
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N'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
CID 66556536
6-(2-Fluoropyridin-4-Yl)pyrido[3,2-D]pyrimidin-4-Amine
CID 72703518
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
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US11420970, Example 198
CID 156073186
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
4-(2,4-difluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-N-piperidin-4-yl-1,7-naphthyridin-7-ium-2-amine
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3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)pyrido[2,3-b]pyrazin-8-amine
CID 46203867
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The IUPAC name of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine (CID 157281382) is 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine.
What is the SMILES notation for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The canonical SMILES for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine is CC(N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncccc2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
The InChIKey is AZRZGDJKMISEKQ-RFVHGSKJSA-N. The full InChI is InChI=1S/C21H15F2N7.C16H13F2N3/c1-11(29-21-16(9-24)20(25)27-10-28-21)15-8-18-17(3-2-4-26-18)30-19(15)12-5-13(22)7-14(23)6-12;1-9(19)13-8-15-14(3-2-4-20-15)21-16(13)10-5-11(17)7-12(18)6-10/h2-8,10-11H,1H3,(H3,25,27,28,29);2-9H,19H2,1H3/t11-;/m1./s1.
What are the key properties of 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine?
4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine has a molecular weight of 688.69 g/mol, XLogP of 7.59, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;1-[2-(3,5-difluorophenyl)-1,5-naphthyridin-3-yl]ethanamine is sourced from PubChem (CID 157281382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).