2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C24H23F2N7S — CID 146267835

IUPAC2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3
InChIKeyNKPAINVPDVDOAL-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.35
Rot. Bonds5

About 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 146267835) has the molecular formula C24H23F2N7S and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID146267835
Molecular FormulaC24H23F2N7S
Molecular Weight479.56 g/mol
Exact Mass479.17
IUPAC Name2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2cc(F)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3
InChIKeyNKPAINVPDVDOAL-UHFFFAOYSA-N
XLogP4.35
TPSA72.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 146267835) is 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2cc(F)c(N3CCNCC3)cc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is NKPAINVPDVDOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7S/c1-3-18-23(20-12-19(17(26)14-33(20)30-18)32-10-8-28-9-11-32)31(2)24-29-22(21(13-27)34-24)15-4-6-16(25)7-5-15/h4-7,12,14,28H,3,8-11H2,1-2H3.
What are the key properties of 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 479.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-fluoro-5-piperazin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 146267835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).