2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C29H32FN7S — CID 146267679

About 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267679) has the molecular formula C29H32FN7S and a molecular weight of 529.69 g/mol. Its IUPAC name is 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267679
• Molecular Formula: C29H32FN7S
• Molecular Weight: 529.69 g/mol
• Exact Mass: 529.24
• IUPAC Name: 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nn2c(C)cc(N3CCC4(CCNC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C29H32FN7S/c1-4-23-27(35(3)28-33-26(25(17-31)38-28)20-5-7-21(30)8-6-20)24-16-22(15-19(2)37(24)34-23)36-13-10-29(11-14-36)9-12-32-18-29/h5-8,15-16,32H,4,9-14,18H2,1-3H3
• InChIKey: ZFJPWWHQFDIHHD-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 72.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.69
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267679) is 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCC4(CCNC4)CC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is ZFJPWWHQFDIHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN7S/c1-4-23-27(35(3)28-33-26(25(17-31)38-28)20-5-7-21(30)8-6-20)24-16-22(15-19(2)37(24)34-23)36-13-10-29(11-14-36)9-12-32-18-29/h5-8,15-16,32H,4,9-14,18H2,1-3H3.

What are the key properties of 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 529.69 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,8-diazaspiro[4.5]decan-8-yl)-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).