(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C59H59F6N9O2 — CID 170977674

IUPAC(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(F)cc1.CN1C2C[C@H]2C[C@H]1Cn1ccc(-c2ccc(F)cc2)n1.Cc1c(-c2ccccc2F)nn2ccccc12.NC[C@@H]1CCN1C=O.O=Cc1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C16H18FN3.C15H9F3N2O.C14H11FN2.C9H11F.C5H10N2O/c1-19-14(8-12-9-16(12)19)10-20-7-6-15(18-20)11-2-4-13(17)5-3-11;16-15(17,18)11-6-7-20-12(9-21)14(19-13(20)8-11)10-4-2-1-3-5-10;1-10-13-8-4-5-9-17(13)16-14(10)11-6-2-3-7-12(11)15;1-7(2)8-3-5-9(10)6-4-8;6-3-5-1-2-7(5)4-8/h2-7,12,14,16H,8-10H2,1H3;1-9H;2-9H,1H3;3-7H,1-2H3;4-5H,1-3,6H2/t12-,14+,16?;;;;5-/m1...0/s1
InChIKeyLUJZRTPKZYPLGN-UBVQXUSDSA-N
MW1040.17 g/mol
LogP12.19
Rot. Bonds9

About (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde

(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 170977674) has the molecular formula C59H59F6N9O2 and a molecular weight of 1040.17 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID170977674
Molecular FormulaC59H59F6N9O2
Molecular Weight1040.17 g/mol
Exact Mass1039.47
IUPAC Name(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)c1ccc(F)cc1.CN1C2C[C@H]2C[C@H]1Cn1ccc(-c2ccc(F)cc2)n1.Cc1c(-c2ccccc2F)nn2ccccc12.NC[C@@H]1CCN1C=O.O=Cc1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C16H18FN3.C15H9F3N2O.C14H11FN2.C9H11F.C5H10N2O/c1-19-14(8-12-9-16(12)19)10-20-7-6-15(18-20)11-2-4-13(17)5-3-11;16-15(17,18)11-6-7-20-12(9-21)14(19-13(20)8-11)10-4-2-1-3-5-10;1-10-13-8-4-5-9-17(13)16-14(10)11-6-2-3-7-12(11)15;1-7(2)8-3-5-9(10)6-4-8;6-3-5-1-2-7(5)4-8/h2-7,12,14,16H,8-10H2,1H3;1-9H;2-9H,1H3;3-7H,1-2H3;4-5H,1-3,6H2/t12-,14+,16?;;;;5-/m1...0/s1
InChIKeyLUJZRTPKZYPLGN-UBVQXUSDSA-N
XLogP12.19
TPSA119.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.17
LogP ≤ 512.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde with MolForge

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Related Compounds

US12473304, Example 258
CID 156828766
US12473304, Example 288
CID 156828951
US12473304, Example 257
CID 156829007
US12473304, Example 281
CID 156829043
US12473304, Example 280
CID 156829082
US12473304, Example 263
CID 156829301
US12473304, Example 287
CID 156829334
US12473304, Example 273
CID 156829519
US12473304, Example 261
CID 156829720
US12473304, Example 69
CID 156829738
US12473304, Example 264
CID 156829900
[6-[5-[4-[1-[2-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]pyrazol-4-yl]anilino]-1,2,4-triazin-3-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387443

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 170977674) is (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)c1ccc(F)cc1.CN1C2C[C@H]2C[C@H]1Cn1ccc(-c2ccc(F)cc2)n1.Cc1c(-c2ccccc2F)nn2ccccc12.NC[C@@H]1CCN1C=O.O=Cc1c(-c2ccccc2)nc2cc(C(F)(F)F)ccn12.
What is the InChIKey of (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is LUJZRTPKZYPLGN-UBVQXUSDSA-N. The full InChI is InChI=1S/C16H18FN3.C15H9F3N2O.C14H11FN2.C9H11F.C5H10N2O/c1-19-14(8-12-9-16(12)19)10-20-7-6-15(18-20)11-2-4-13(17)5-3-11;16-15(17,18)11-6-7-20-12(9-21)14(19-13(20)8-11)10-4-2-1-3-5-10;1-10-13-8-4-5-9-17(13)16-14(10)11-6-2-3-7-12(11)15;1-7(2)8-3-5-9(10)6-4-8;6-3-5-1-2-7(5)4-8/h2-7,12,14,16H,8-10H2,1H3;1-9H;2-9H,1H3;3-7H,1-2H3;4-5H,1-3,6H2/t12-,14+,16?;;;;5-/m1...0/s1.
What are the key properties of (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde?
(2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 1040.17 g/mol, XLogP of 12.19, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)azetidine-1-carbaldehyde;2-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyridine;(3S,5S)-3-[[3-(4-fluorophenyl)pyrazol-1-yl]methyl]-2-methyl-2-azabicyclo[3.1.0]hexane;1-fluoro-4-propan-2-ylbenzene;2-phenyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 170977674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).