1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone

C123H86Cl2F7N15O7+2 — CID 157485622

IUPAC1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
SMILESCn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.Nc1cc(-c2ccccc2)nn1Cc1ccccc1.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccnc(Cl)c1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F
InChIInChI=1S/2C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C16H15N3.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-16-14(18)13(7-8-19-16)15(20)12-6-5-10-3-1-2-4-11(10)9-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h2*1-9H;1-10,20H;1-10,16,19H;1-10H;1-11H,12,17H2;2-7H,1H3;2-8,18H,1H3/q;;+1;;;;;+1
InChIKeyPJSHKAGSGPOBFW-UHFFFAOYSA-N
MW2090.03 g/mol
LogP26.04
Rot. Bonds15

About 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone

1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone (PubChem CID 157485622) has the molecular formula C123H86Cl2F7N15O7+2 and a molecular weight of 2090.03 g/mol. Its IUPAC name is 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
PubChem CID157485622
Molecular FormulaC123H86Cl2F7N15O7+2
Molecular Weight2090.03 g/mol
Exact Mass2087.61
IUPAC Name1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
SMILESCn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.Nc1cc(-c2ccccc2)nn1Cc1ccccc1.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccnc(Cl)c1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F
InChIInChI=1S/2C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C16H15N3.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-16-14(18)13(7-8-19-16)15(20)12-6-5-10-3-1-2-4-11(10)9-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h2*1-9H;1-10,20H;1-10,16,19H;1-10H;1-11H,12,17H2;2-7H,1H3;2-8,18H,1H3/q;;+1;;;;;+1
InChIKeyPJSHKAGSGPOBFW-UHFFFAOYSA-N
XLogP26.04
TPSA304.45 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002090.03
LogP ≤ 526.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(2-Chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone
CID 157484022
(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methanone;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[5,4-c]pyridine;5-isocyano-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
CID 157507381
(3-fluoro-1-hydroxypyridin-1-ium-2-yl)-(3-fluorophenyl)methanone;(3-fluoro-6-isocyano-2-pyridinyl)-(3-fluorophenyl)methanone;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanol;(3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanone;3-(3-fluorophenyl)-5-isocyano-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine;3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid;(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanol
CID 159757702
5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[3,4-c]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine;(5-fluoro-2-isocyano-4-pyridinyl)-naphthalen-2-ylmethanone;3-fluoro-4-(naphthalene-2-carbonyl)pyridine-2-carbonitrile;5-isocyano-3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 160471305

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The IUPAC name of 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone (CID 157485622) is 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The canonical SMILES for 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone is Cn1nc(-c2cccc(F)c2)c2cc[n+](O)cc21.Cn1nc(-c2cccc(F)c2)c2ccnc(C#N)c21.Nc1cc(-c2ccccc2)nn1Cc1ccccc1.O=C(c1ccc2ccccc2c1)c1cc(Cl)ncc1F.O=C(c1ccc2ccccc2c1)c1cc[n+](O)cc1F.O=C(c1ccc2ccccc2c1)c1ccnc(Cl)c1F.O=C(c1ccc2ccccc2c1)c1ccncc1F.OC(c1ccc2ccccc2c1)c1ccncc1F.
What is the InChIKey of 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
The InChIKey is PJSHKAGSGPOBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H9ClFNO.C16H11FNO2.C16H12FNO.C16H10FNO.C16H15N3.C14H9FN4.C13H11FN3O/c17-15-8-13(14(18)9-19-15)16(20)12-6-5-10-3-1-2-4-11(10)7-12;17-16-14(18)13(7-8-19-16)15(20)12-6-5-10-3-1-2-4-11(10)9-12;17-15-10-18(20)8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;2*17-15-10-18-8-7-14(15)16(19)13-6-5-11-3-1-2-4-12(11)9-13;17-16-11-15(14-9-5-2-6-10-14)18-19(16)12-13-7-3-1-4-8-13;1-19-14-11(5-6-17-12(14)8-16)13(18-19)9-3-2-4-10(15)7-9;1-16-12-8-17(18)6-5-11(12)13(15-16)9-3-2-4-10(14)7-9/h2*1-9H;1-10,20H;1-10,16,19H;1-10H;1-11H,12,17H2;2-7H,1H3;2-8,18H,1H3/q;;+1;;;;;+1.
What are the key properties of 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone?
1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone has a molecular weight of 2090.03 g/mol, XLogP of 26.04, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylpyrazol-5-amine;(2-chloro-3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(2-chloro-5-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone;(3-fluoro-1-hydroxypyridin-1-ium-4-yl)-naphthalen-2-ylmethanone;3-(3-fluorophenyl)-6-hydroxy-1-methylpyrazolo[5,4-c]pyridin-6-ium;3-(3-fluorophenyl)-1-methylpyrazolo[5,4-c]pyridine-7-carbonitrile;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanol;(3-fluoro-4-pyridinyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 157485622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).