6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

C65H76ClN13O7 — CID 158405468

About 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate

6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 158405468) has the molecular formula C65H76ClN13O7 and a molecular weight of 1186.86 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
• PubChem CID: 158405468
• Molecular Formula: C65H76ClN13O7
• Molecular Weight: 1186.86 g/mol
• Exact Mass: 1185.57
• IUPAC Name: 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
• SMILES: CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C)c1.Cc1nc(Cl)ccc1C=O.Cc1nc(N2CC3CC3C2)ccc1C=O.Cc1nc(N2CC3CC3C2)ccc1CO.Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)cn1
• InChI: InChI=1S/C18H22N4O2.C16H18N4O2.C12H16N2O.C12H14N2O.C7H6ClNO/c1-3-24-18(23)16-7-19-22(11-16)10-13-4-5-17(20-12(13)2)21-8-14-6-15(14)9-21;1-10-11(8-20-9-14(5-17-20)16(21)22)2-3-15(18-10)19-6-12-4-13(12)7-19;2*1-8-9(7-15)2-3-12(13-8)14-5-10-4-11(10)6-14;1-5-6(4-10)2-3-7(8)9-5/h4-5,7,11,14-15H,3,6,8-10H2,1-2H3;2-3,5,9,12-13H,4,6-8H2,1H3,(H,21,22);2-3,10-11,15H,4-7H2,1H3;2-3,7,10-11H,4-6H2,1H3;2-4H,1H3
• InChIKey: GYQCRNFONLNUFP-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 231.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1186.86
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?

The IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 158405468) is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate.

What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?

The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2ccc(N3CC4CC4C3)nc2C)c1.Cc1nc(Cl)ccc1C=O.Cc1nc(N2CC3CC3C2)ccc1C=O.Cc1nc(N2CC3CC3C2)ccc1CO.Cc1nc(N2CC3CC3C2)ccc1Cn1cc(C(=O)O)cn1.

What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?

The InChIKey is GYQCRNFONLNUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.C16H18N4O2.C12H16N2O.C12H14N2O.C7H6ClNO/c1-3-24-18(23)16-7-19-22(11-16)10-13-4-5-17(20-12(13)2)21-8-14-6-15(14)9-21;1-10-11(8-20-9-14(5-17-20)16(21)22)2-3-15(18-10)19-6-12-4-13(12)7-19;2*1-8-9(7-15)2-3-12(13-8)14-5-10-4-11(10)6-14;1-5-6(4-10)2-3-7(8)9-5/h4-5,7,11,14-15H,3,6,8-10H2,1-2H3;2-3,5,9,12-13H,4,6-8H2,1H3,(H,21,22);2-3,10-11,15H,4-7H2,1H3;2-3,7,10-11H,4-6H2,1H3;2-4H,1H3.

What are the key properties of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate?

6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 1186.86 g/mol, XLogP of 8.91, 14 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpyridine-3-carbaldehyde;[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylic acid;6-chloro-2-methylpyridine-3-carbaldehyde;ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 158405468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).