8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide

C61H65F2N11O5 — CID 158726092

IUPAC8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide
SMILESCc1cc(-c2nn(C)c3ccc(C(=O)NCC(=O)C4CCC5CCC4N5Cc4ccccc4F)cc23)ccn1.Cc1cc(-c2nn(C)c3ccc(C(=O)NN)cc23)ccn1.O=C(O)C1CCC2CCC1N2Cc1ccccc1F
InChIInChI=1S/C31H32FN5O2.C15H18FNO2.C15H15N5O/c1-19-15-20(13-14-33-19)30-25-16-21(7-11-27(25)36(2)35-30)31(39)34-17-29(38)24-10-8-23-9-12-28(24)37(23)18-22-5-3-4-6-26(22)32;16-13-4-2-1-3-10(13)9-17-11-5-7-12(15(18)19)14(17)8-6-11;1-9-7-10(5-6-17-9)14-12-8-11(15(21)18-16)3-4-13(12)20(2)19-14/h3-7,11,13-16,23-24,28H,8-10,12,17-18H2,1-2H3,(H,34,39);1-4,11-12,14H,5-9H2,(H,18,19);3-8H,16H2,1-2H3,(H,18,21)
InChIKeyIKNDNUOPFOIPAY-UHFFFAOYSA-N
MW1070.26 g/mol
LogP9.03
Rot. Bonds12

About 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide

8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide (PubChem CID 158726092) has the molecular formula C61H65F2N11O5 and a molecular weight of 1070.26 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide
PubChem CID158726092
Molecular FormulaC61H65F2N11O5
Molecular Weight1070.26 g/mol
Exact Mass1069.51
IUPAC Name8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide
SMILESCc1cc(-c2nn(C)c3ccc(C(=O)NCC(=O)C4CCC5CCC4N5Cc4ccccc4F)cc23)ccn1.Cc1cc(-c2nn(C)c3ccc(C(=O)NN)cc23)ccn1.O=C(O)C1CCC2CCC1N2Cc1ccccc1F
InChIInChI=1S/C31H32FN5O2.C15H18FNO2.C15H15N5O/c1-19-15-20(13-14-33-19)30-25-16-21(7-11-27(25)36(2)35-30)31(39)34-17-29(38)24-10-8-23-9-12-28(24)37(23)18-22-5-3-4-6-26(22)32;16-13-4-2-1-3-10(13)9-17-11-5-7-12(15(18)19)14(17)8-6-11;1-9-7-10(5-6-17-9)14-12-8-11(15(21)18-16)3-4-13(12)20(2)19-14/h3-7,11,13-16,23-24,28H,8-10,12,17-18H2,1-2H3,(H,34,39);1-4,11-12,14H,5-9H2,(H,18,19);3-8H,16H2,1-2H3,(H,18,21)
InChIKeyIKNDNUOPFOIPAY-UHFFFAOYSA-N
XLogP9.03
TPSA206.49 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001070.26
LogP ≤ 59.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide with MolForge

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Related Compounds

N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160482801
4-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid;ethyl 4-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 157918521
N-[(2S)-1-amino-1-oxopropan-2-yl]-7-fluoro-3-(2-pyridin-3-ylethenyl)-2H-indazole-5-carboxamide;tert-butyl N-[7-fluoro-1-methyl-3-[(E)-2-pyridin-3-ylethenyl]indazol-5-yl]carbamate;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
CID 159514484
2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole
CID 159826543
4-[3-(4-benzamidophenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid;3-methyl-N-[4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]benzamide;4-[3-(4-phenylphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
CID 160205910
2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-5-[1-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-1,3,4-oxadiazole;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide
CID 160326847
4-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid;methyl 4-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 161202867
2-[(5-carbamoyl-3-pyridinyl)amino]-2-oxoacetic acid;bis(5-[[2-[(2R,5S)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide);5-[[2-[(2S,5R)-2-(4-fluoro-1H-indazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide;4-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]-1H-indazole;methane
CID 165061595
3-(5-carbamoyl-3-pyridinyl)-2-oxopropanoic acid;5-[3-[(2R,5S)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide;bis(5-[3-[(2S,5R)-2-(1H-indazol-4-yl)-5-methylpiperidin-1-yl]-2,3-dioxopropyl]pyridine-3-carboxamide);4-[(2S,5R)-5-methylpiperidin-2-yl]-1H-indazole
CID 165071243

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide (CID 158726092) is 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide is Cc1cc(-c2nn(C)c3ccc(C(=O)NCC(=O)C4CCC5CCC4N5Cc4ccccc4F)cc23)ccn1.Cc1cc(-c2nn(C)c3ccc(C(=O)NN)cc23)ccn1.O=C(O)C1CCC2CCC1N2Cc1ccccc1F.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide?
The InChIKey is IKNDNUOPFOIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O2.C15H18FNO2.C15H15N5O/c1-19-15-20(13-14-33-19)30-25-16-21(7-11-27(25)36(2)35-30)31(39)34-17-29(38)24-10-8-23-9-12-28(24)37(23)18-22-5-3-4-6-26(22)32;16-13-4-2-1-3-10(13)9-17-11-5-7-12(15(18)19)14(17)8-6-11;1-9-7-10(5-6-17-9)14-12-8-11(15(21)18-16)3-4-13(12)20(2)19-14/h3-7,11,13-16,23-24,28H,8-10,12,17-18H2,1-2H3,(H,34,39);1-4,11-12,14H,5-9H2,(H,18,19);3-8H,16H2,1-2H3,(H,18,21).
What are the key properties of 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide?
8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide has a molecular weight of 1070.26 g/mol, XLogP of 9.03, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane-2-carboxylic acid;N-[2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-2-oxoethyl]-1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carboxamide;1-methyl-3-(2-methyl-4-pyridinyl)indazole-5-carbohydrazide is sourced from PubChem (CID 158726092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).