2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C31H31F2N7O3S — CID 146267930

About 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267930) has the molecular formula C31H31F2N7O3S and a molecular weight of 619.70 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 146267930
• Molecular Formula: C31H31F2N7O3S
• Molecular Weight: 619.70 g/mol
• Exact Mass: 619.22
• IUPAC Name: 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(C(=O)C4(O)CCOCC4)CC3)cc12
• InChI: InChI=1S/C31H31F2N7O3S/c1-37(30-35-26(25(17-34)44-30)19-4-6-21(32)7-5-19)28-24-16-23(22(33)18-40(24)36-27(28)20-2-3-20)38-10-12-39(13-11-38)29(41)31(42)8-14-43-15-9-31/h4-7,16,18,20,42H,2-3,8-15H2,1H3
• InChIKey: SGYIXAMJBIYJQX-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 110.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.70
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The IUPAC name of 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267930) is 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

What is the SMILES notation for 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The canonical SMILES for 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(C(=O)C4(O)CCOCC4)CC3)cc12.

What is the InChIKey of 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is SGYIXAMJBIYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F2N7O3S/c1-37(30-35-26(25(17-34)44-30)19-4-6-21(32)7-5-19)28-24-16-23(22(33)18-40(24)36-27(28)20-2-3-20)38-10-12-39(13-11-38)29(41)31(42)8-14-43-15-9-31/h4-7,16,18,20,42H,2-3,8-15H2,1H3.

What are the key properties of 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 619.70 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-cyclopropyl-6-fluoro-5-[4-(4-hydroxyoxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).