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

C30H30F2N8O2S — CID 146267588

IUPAC2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc12
InChIInChI=1S/C30H30F2N8O2S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3
InChIKeySVJLCWRKELVHRE-UHFFFAOYSA-N
MW604.69 g/mol
LogP3.58
Rot. Bonds7

About 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267588) has the molecular formula C30H30F2N8O2S and a molecular weight of 604.69 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267588
Molecular FormulaC30H30F2N8O2S
Molecular Weight604.69 g/mol
Exact Mass604.22
IUPAC Name2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCN(c1nc(-c2ccc(F)cc2)c(C#N)s1)c1c(C2CC2)nn2cc(F)c(N3CCN(CC(=O)N4CC(O)C4)CC3)cc12
InChIInChI=1S/C30H30F2N8O2S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3
InChIKeySVJLCWRKELVHRE-UHFFFAOYSA-N
XLogP3.58
TPSA104.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.69
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267588) is 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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(CC(=O)N4CC(O)C4)CC3)cc12.
What is the InChIKey of 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is SVJLCWRKELVHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N8O2S/c1-36(30-34-27(25(13-33)43-30)18-4-6-20(31)7-5-18)29-24-12-23(22(32)16-40(24)35-28(29)19-2-3-19)38-10-8-37(9-11-38)17-26(42)39-14-21(41)15-39/h4-7,12,16,19,21,41H,2-3,8-11,14-15,17H2,1H3.
What are the key properties of 2-[[2-cyclopropyl-6-fluoro-5-[4-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 604.69 g/mol, XLogP of 3.58, 7 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-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).