6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane

C64H68N20O — CID 165009002

About 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane

6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 165009002) has the molecular formula C64H68N20O and a molecular weight of 1133.39 g/mol. Its IUPAC name is 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

• Compound Name: 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
• PubChem CID: 165009002
• Molecular Formula: C64H68N20O
• Molecular Weight: 1133.39 g/mol
• Exact Mass: 1132.59
• IUPAC Name: 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane
• SMILES: Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.O=Cc1ccc(-n2ccc(C3CC3)n2)nc1
• InChI: InChI=1S/C32H34N10.C20H23N7.C12H11N3O/c1-20-11-25(13-26-12-21(2)37-38-26)36-32(35-20)24-6-8-30(34-16-24)40-18-27-14-28(19-40)41(27)17-22-3-7-31(33-15-22)42-10-9-29(39-42)23-4-5-23;1-12-5-15(7-16-6-13(2)25-26-16)24-20(22-12)14-3-4-19(21-9-14)27-10-17-8-18(11-27)23-17;16-8-9-1-4-12(13-7-9)15-6-5-11(14-15)10-2-3-10/h3,6-12,15-16,23,27-28H,4-5,13-14,17-19H2,1-2H3,(H,37,38);3-6,9,17-18,23H,7-8,10-11H2,1-2H3,(H,25,26);1,4-8,10H,2-3H2
• InChIKey: JKHVNGUSNCDPIT-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 234.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1133.39
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane?

The IUPAC name of 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane (CID 165009002) is 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane.

What is the SMILES notation for 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane?

The canonical SMILES for 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane is Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.O=Cc1ccc(-n2ccc(C3CC3)n2)nc1.

What is the InChIKey of 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane?

The InChIKey is JKHVNGUSNCDPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N10.C20H23N7.C12H11N3O/c1-20-11-25(13-26-12-21(2)37-38-26)36-32(35-20)24-6-8-30(34-16-24)40-18-27-14-28(19-40)41(27)17-22-3-7-31(33-15-22)42-10-9-29(39-42)23-4-5-23;1-12-5-15(7-16-6-13(2)25-26-16)24-20(22-12)14-3-4-19(21-9-14)27-10-17-8-18(11-27)23-17;16-8-9-1-4-12(13-7-9)15-6-5-11(14-15)10-2-3-10/h3,6-12,15-16,23,27-28H,4-5,13-14,17-19H2,1-2H3,(H,37,38);3-6,9,17-18,23H,7-8,10-11H2,1-2H3,(H,25,26);1,4-8,10H,2-3H2.

What are the key properties of 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane?

6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 1133.39 g/mol, XLogP of 8.37, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyclopropylpyrazol-1-yl)pyridine-3-carbaldehyde;6-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 165009002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).