2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C28H35FN10 — CID 155177250

About 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 155177250) has the molecular formula C28H35FN10 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 155177250
• Molecular Formula: C28H35FN10
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.30
• IUPAC Name: 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN([C@H](C)c4ccc(-n5cc(F)cn5)nc4)C3)CC2)n1
• InChI: InChI=1S/C28H35FN10/c1-19-13-24(33-25-14-20(2)35-36-25)34-27(32-19)37-11-8-28(9-12-37)7-4-10-38(18-28)21(3)22-5-6-26(30-15-22)39-17-23(29)16-31-39/h5-6,13-17,21H,4,7-12,18H2,1-3H3,(H2,32,33,34,35,36)/t21-/m1/s1
• InChIKey: DANAUZGMYORVFX-OAQYLSRUSA-N
• XLogP: 4.72
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 155177250) is 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CCCN([C@H](C)c4ccc(-n5cc(F)cn5)nc4)C3)CC2)n1.

What is the InChIKey of 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is DANAUZGMYORVFX-OAQYLSRUSA-N. The full InChI is InChI=1S/C28H35FN10/c1-19-13-24(33-25-14-20(2)35-36-25)34-27(32-19)37-11-8-28(9-12-37)7-4-10-38(18-28)21(3)22-5-6-26(30-15-22)39-17-23(29)16-31-39/h5-6,13-17,21H,4,7-12,18H2,1-3H3,(H2,32,33,34,35,36)/t21-/m1/s1.

What are the key properties of 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 530.66 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,9-diazaspiro[5.5]undecan-9-yl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 155177250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).