1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol

C24H27FN6O — CID 91260884

IUPAC1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol
SMILES[H]/N=C(\c1cccnc1N)c1nc(N2CCCC(N)(C(C)(O)c3ccccc3)C2)ccc1F
InChIInChI=1S/C24H27FN6O/c1-23(32,16-7-3-2-4-8-16)24(28)12-6-14-31(15-24)19-11-10-18(25)21(30-19)20(26)17-9-5-13-29-22(17)27/h2-5,7-11,13,26,32H,6,12,14-15,28H2,1H3,(H2,27,29)/b26-20+
InChIKeyZKMBVDLTQYNEJK-LHLOQNFPSA-N
MW434.52 g/mol
LogP2.82
Rot. Bonds5

About 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol

1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol (PubChem CID 91260884) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol
PubChem CID91260884
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol
SMILES[H]/N=C(\c1cccnc1N)c1nc(N2CCCC(N)(C(C)(O)c3ccccc3)C2)ccc1F
InChIInChI=1S/C24H27FN6O/c1-23(32,16-7-3-2-4-8-16)24(28)12-6-14-31(15-24)19-11-10-18(25)21(30-19)20(26)17-9-5-13-29-22(17)27/h2-5,7-11,13,26,32H,6,12,14-15,28H2,1H3,(H2,27,29)/b26-20+
InChIKeyZKMBVDLTQYNEJK-LHLOQNFPSA-N
XLogP2.82
TPSA125.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol with MolForge

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Related Compounds

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CID 52946246
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CID 52950142
2-[5-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-fluoro-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
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4-[4-Phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
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CID 70675839
4-[1-[5-[6-[[4-(Difluoromethyl)pyridin-2-yl]amino]-4-methylpyridin-2-yl]pyridin-2-yl]-1-hydroxyethyl]cyclohexane-1-carboxylic acid
CID 70982532

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol?
The IUPAC name of 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol (CID 91260884) is 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol.
What is the SMILES notation for 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol?
The canonical SMILES for 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol is [H]/N=C(\c1cccnc1N)c1nc(N2CCCC(N)(C(C)(O)c3ccccc3)C2)ccc1F.
What is the InChIKey of 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol?
The InChIKey is ZKMBVDLTQYNEJK-LHLOQNFPSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-23(32,16-7-3-2-4-8-16)24(28)12-6-14-31(15-24)19-11-10-18(25)21(30-19)20(26)17-9-5-13-29-22(17)27/h2-5,7-11,13,26,32H,6,12,14-15,28H2,1H3,(H2,27,29)/b26-20+.
What are the key properties of 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol?
1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol has a molecular weight of 434.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-1-[6-(2-aminopyridine-3-carboximidoyl)-5-fluoro-2-pyridinyl]piperidin-3-yl]-1-phenylethanol is sourced from PubChem (CID 91260884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).