ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine

C29H32FN5 — CID 145375140

IUPACethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine
SMILESCC.CC.Cn1nccc1-c1ccc(CNc2nccc(-c3ccc4ncccc4c3)c2F)cc1
InChIInChI=1S/C25H20FN5.2C2H6/c1-31-23(11-14-30-31)18-6-4-17(5-7-18)16-29-25-24(26)21(10-13-28-25)19-8-9-22-20(15-19)3-2-12-27-22;2*1-2/h2-15H,16H2,1H3,(H,28,29);2*1-2H3
InChIKeyHCSXOMWKYAXNPR-UHFFFAOYSA-N
MW469.61 g/mol
LogP7.50
Rot. Bonds5

About ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine

ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine (PubChem CID 145375140) has the molecular formula C29H32FN5 and a molecular weight of 469.61 g/mol. Its IUPAC name is ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine.

Molecular Properties

Compound Nameethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine
PubChem CID145375140
Molecular FormulaC29H32FN5
Molecular Weight469.61 g/mol
Exact Mass469.26
IUPAC Nameethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine
SMILESCC.CC.Cn1nccc1-c1ccc(CNc2nccc(-c3ccc4ncccc4c3)c2F)cc1
InChIInChI=1S/C25H20FN5.2C2H6/c1-31-23(11-14-30-31)18-6-4-17(5-7-18)16-29-25-24(26)21(10-13-28-25)19-8-9-22-20(15-19)3-2-12-27-22;2*1-2/h2-15H,16H2,1H3,(H,28,29);2*1-2H3
InChIKeyHCSXOMWKYAXNPR-UHFFFAOYSA-N
XLogP7.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine with MolForge

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Related Compounds

3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033216
3-fluoro-N-[[5-methoxy-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyridin-2-amine
CID 129033215
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-5-quinolin-6-yl-1,2,4-triazol-3-amine
CID 145293382
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 129033475
3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 63302427
3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
CID 129033158
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648
5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 129033419
4-(2,1,3-benzoxadiazol-5-yl)-3-fluoro-N-[[5-fluoro-6-[(E)-pent-1-enyl]-3-pyridinyl]methyl]pyridin-2-amine;ethane;ethene
CID 145375173
2-fluoro-6-quinolin-6-ylaniline
CID 107602869
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine?
The IUPAC name of ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine (CID 145375140) is ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine.
What is the SMILES notation for ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine?
The canonical SMILES for ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine is CC.CC.Cn1nccc1-c1ccc(CNc2nccc(-c3ccc4ncccc4c3)c2F)cc1.
What is the InChIKey of ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine?
The InChIKey is HCSXOMWKYAXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5.2C2H6/c1-31-23(11-14-30-31)18-6-4-17(5-7-18)16-29-25-24(26)21(10-13-28-25)19-8-9-22-20(15-19)3-2-12-27-22;2*1-2/h2-15H,16H2,1H3,(H,28,29);2*1-2H3.
What are the key properties of ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine?
ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine has a molecular weight of 469.61 g/mol, XLogP of 7.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-4-quinolin-6-ylpyridin-2-amine is sourced from PubChem (CID 145375140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).