1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine

C21H23F2N5 — CID 141338979

IUPAC1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine
SMILESNC1=CC(F)=C(c2ccncc2F)N(c2cnccc2[C@@H]2CCC[C@H](N)C2)C1
InChIInChI=1S/C21H23F2N5/c22-18-9-15(25)12-28(21(18)17-5-7-26-10-19(17)23)20-11-27-6-4-16(20)13-2-1-3-14(24)8-13/h4-7,9-11,13-14H,1-3,8,12,24-25H2/t13-,14+/m1/s1
InChIKeyFRDNLISPZPGXJI-KGLIPLIRSA-N
MW383.45 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine

1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine (PubChem CID 141338979) has the molecular formula C21H23F2N5 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine.

Molecular Properties

Compound Name1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine
PubChem CID141338979
Molecular FormulaC21H23F2N5
Molecular Weight383.45 g/mol
Exact Mass383.19
IUPAC Name1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine
SMILESNC1=CC(F)=C(c2ccncc2F)N(c2cnccc2[C@@H]2CCC[C@H](N)C2)C1
InChIInChI=1S/C21H23F2N5/c22-18-9-15(25)12-28(21(18)17-5-7-26-10-19(17)23)20-11-27-6-4-16(20)13-2-1-3-14(24)8-13/h4-7,9-11,13-14H,1-3,8,12,24-25H2/t13-,14+/m1/s1
InChIKeyFRDNLISPZPGXJI-KGLIPLIRSA-N
XLogP3.60
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine with MolForge

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Related Compounds

BC-1215
CID 72201045
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1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
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1-(1-Phenyl-2-(pyridin-4-yl)ethyl)piperazine
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CID 53321039
rac-N1-(1-(4-Methylpyridin-2-yl)ethyl)-N1-(3-methylpyridin-2-yl)methyl)butane-1,4-diamine
CID 53324136
3-(5-Phenyl-3-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane
CID 69629839
4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-N-[(3,5-dimethylphenyl)methyl]pyridin-3-amine
CID 90070268
(R)-4-benzyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,7]naphthyridine
CID 134265735
2-phenyl-2-{5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}ethan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine?
The IUPAC name of 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine (CID 141338979) is 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine.
What is the SMILES notation for 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine?
The canonical SMILES for 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine is NC1=CC(F)=C(c2ccncc2F)N(c2cnccc2[C@@H]2CCC[C@H](N)C2)C1.
What is the InChIKey of 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine?
The InChIKey is FRDNLISPZPGXJI-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H23F2N5/c22-18-9-15(25)12-28(21(18)17-5-7-26-10-19(17)23)20-11-27-6-4-16(20)13-2-1-3-14(24)8-13/h4-7,9-11,13-14H,1-3,8,12,24-25H2/t13-,14+/m1/s1.
What are the key properties of 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine?
1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine has a molecular weight of 383.45 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-5-fluoro-6-(3-fluoro-4-pyridinyl)-2H-pyridin-3-amine is sourced from PubChem (CID 141338979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).