4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile

C32H30FN7O2S — CID 175681670

About 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile

4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 175681670) has the molecular formula C32H30FN7O2S and a molecular weight of 595.70 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile
• PubChem CID: 175681670
• Molecular Formula: C32H30FN7O2S
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.22
• IUPAC Name: 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile
• SMILES: CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3ncc(N4CC5(CN(C(=O)[C@@H]6CCOC6)C5)C4)cc13)CCC2
• InChI: InChI=1S/C32H30FN7O2S/c1-38(31-37-27(26(12-34)43-31)19-5-7-21(33)8-6-19)28-23-3-2-4-25(23)36-29-24(28)11-22(13-35-29)39-15-32(16-39)17-40(18-32)30(41)20-9-10-42-14-20/h5-8,11,13,20H,2-4,9-10,14-18H2,1H3/t20-/m1/s1
• InChIKey: CGMJHROVQGXNAF-HXUWFJFHSA-N
• XLogP: 4.71
• TPSA: 98.48 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile?

The IUPAC name of 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile (CID 175681670) is 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile is CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c2c(nc3ncc(N4CC5(CN(C(=O)[C@@H]6CCOC6)C5)C4)cc13)CCC2.

What is the InChIKey of 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile?

The InChIKey is CGMJHROVQGXNAF-HXUWFJFHSA-N. The full InChI is InChI=1S/C32H30FN7O2S/c1-38(31-37-27(26(12-34)43-31)19-5-7-21(33)8-6-19)28-23-3-2-4-25(23)36-29-24(28)11-22(13-35-29)39-15-32(16-39)17-40(18-32)30(41)20-9-10-42-14-20/h5-8,11,13,20H,2-4,9-10,14-18H2,1H3/t20-/m1/s1.

What are the key properties of 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile?

4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 595.70 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-2-[methyl-[3-[2-[(3R)-oxolane-3-carbonyl]-2,6-diazaspiro[3.3]heptan-6-yl]-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 175681670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).