(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile

C97H95ClFN23O5 — CID 161417541

IUPAC(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
SMILESC[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2
InChIInChI=1S/C25H25FN6O.C25H26N6O2.C24H22N6O.C23H22ClN5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;1-16-8-17(14-29(16)24(31)22-5-3-2-4-19(22)10-25)15-30-23-7-6-18(9-20(23)13-28-30)21-11-26-27-12-21;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);2-7,9,11-13,16-17H,8,14-15H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t;;16-,17?;15-,16?/m..11/s1
InChIKeyVWGZMBUBFKVWLX-GJWCZNIQSA-N
MW1717.43 g/mol
LogP16.04
Rot. Bonds20

About (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile

(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (PubChem CID 161417541) has the molecular formula C97H95ClFN23O5 and a molecular weight of 1717.43 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
PubChem CID161417541
Molecular FormulaC97H95ClFN23O5
Molecular Weight1717.43 g/mol
Exact Mass1715.76
IUPAC Name(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile
SMILESC[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2
InChIInChI=1S/C25H25FN6O.C25H26N6O2.C24H22N6O.C23H22ClN5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;1-16-8-17(14-29(16)24(31)22-5-3-2-4-19(22)10-25)15-30-23-7-6-18(9-20(23)13-28-30)21-11-26-27-12-21;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);2-7,9,11-13,16-17H,8,14-15H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t;;16-,17?;15-,16?/m..11/s1
InChIKeyVWGZMBUBFKVWLX-GJWCZNIQSA-N
XLogP16.04
TPSA326.04 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.43
LogP ≤ 516.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The IUPAC name of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile (CID 161417541) is (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile.
What is the SMILES notation for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The canonical SMILES for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccc(Cl)cc1.C[C@@H]1CC(Cn2ncc3cc(-c4cn[nH]c4)ccc32)CN1C(=O)c1ccccc1C#N.Cc1ccccc1OCC(=O)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.O=C(CCc1cccc(F)c1)N1C2CCC1C(Cn1ncc3cc(-c4cn[nH]n4)ccc31)C2.
What is the InChIKey of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
The InChIKey is VWGZMBUBFKVWLX-GJWCZNIQSA-N. The full InChI is InChI=1S/C25H25FN6O.C25H26N6O2.C24H22N6O.C23H22ClN5O/c26-20-3-1-2-16(10-20)4-9-25(33)32-21-6-8-24(32)19(12-21)15-31-23-7-5-17(11-18(23)13-28-31)22-14-27-30-29-22;1-16-4-2-3-5-24(16)33-15-25(32)31-20-7-9-23(31)19(11-20)14-30-22-8-6-17(10-18(22)12-27-30)21-13-26-29-28-21;1-16-8-17(14-29(16)24(31)22-5-3-2-4-19(22)10-25)15-30-23-7-6-18(9-20(23)13-28-30)21-11-26-27-12-21;1-15-8-16(13-28(15)23(30)17-2-5-21(24)6-3-17)14-29-22-7-4-18(9-19(22)12-27-29)20-10-25-26-11-20/h1-3,5,7,10-11,13-14,19,21,24H,4,6,8-9,12,15H2,(H,27,29,30);2-6,8,10,12-13,19-20,23H,7,9,11,14-15H2,1H3,(H,26,28,29);2-7,9,11-13,16-17H,8,14-15H2,1H3,(H,26,27);2-7,9-12,15-16H,8,13-14H2,1H3,(H,25,26)/t;;16-,17?;15-,16?/m..11/s1.
What are the key properties of (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile?
(4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile has a molecular weight of 1717.43 g/mol, XLogP of 16.04, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidin-1-yl]methanone;3-(3-fluorophenyl)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]propan-1-one;2-(2-methylphenoxy)-1-[2-[[5-(2H-triazol-4-yl)indazol-1-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]ethanone;2-[(2R)-2-methyl-4-[[5-(1H-pyrazol-4-yl)indazol-1-yl]methyl]pyrrolidine-1-carbonyl]benzonitrile is sourced from PubChem (CID 161417541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).