6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

C29H29FN10 — CID 154684857

About 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine

6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (PubChem CID 154684857) has the molecular formula C29H29FN10 and a molecular weight of 536.62 g/mol. Its IUPAC name is 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
• PubChem CID: 154684857
• Molecular Formula: C29H29FN10
• Molecular Weight: 536.62 g/mol
• Exact Mass: 536.26
• IUPAC Name: 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cc(F)cn4)nc3)nc2)c1
• InChI: InChI=1S/C29H29FN10/c1-18-7-25(34-26(8-18)35-27-9-19(2)36-37-27)21-4-6-28(32-12-21)38-16-23-10-24(17-38)39(23)14-20-3-5-29(31-11-20)40-15-22(30)13-33-40/h3-9,11-13,15,23-24H,10,14,16-17H2,1-2H3,(H2,34,35,36,37)
• InChIKey: MMPIPXGBBXBZGM-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.62
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The IUPAC name of 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine (CID 154684857) is 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine.

What is the SMILES notation for 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The canonical SMILES for 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cc(F)cn4)nc3)nc2)c1.

What is the InChIKey of 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

The InChIKey is MMPIPXGBBXBZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN10/c1-18-7-25(34-26(8-18)35-27-9-19(2)36-37-27)21-4-6-28(32-12-21)38-16-23-10-24(17-38)39(23)14-20-3-5-29(31-11-20)40-15-22(30)13-33-40/h3-9,11-13,15,23-24H,10,14,16-17H2,1-2H3,(H2,34,35,36,37).

What are the key properties of 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine?

6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine has a molecular weight of 536.62 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[6-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 154684857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).