2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C39H47FN12S — CID 157412961

IUPAC2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCCCC3)nc2c1N.CCc1nn2c(C)cc(N3CCCCC3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H26FN7S.C14H21N5/c1-4-19-23(24-28-21(14-16(2)33(24)30-19)32-12-6-5-7-13-32)31(3)25-29-22(20(15-27)34-25)17-8-10-18(26)11-9-17;1-3-11-13(15)14-16-12(9-10(2)19(14)17-11)18-7-5-4-6-8-18/h8-11,14H,4-7,12-13H2,1-3H3;9H,3-8,15H2,1-2H3
InChIKeyBOMSLEPTGCCLGG-UHFFFAOYSA-N
MW734.95 g/mol
LogP7.67
Rot. Bonds7

About 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 157412961) has the molecular formula C39H47FN12S and a molecular weight of 734.95 g/mol. Its IUPAC name is 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID157412961
Molecular FormulaC39H47FN12S
Molecular Weight734.95 g/mol
Exact Mass734.38
IUPAC Name2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nn2c(C)cc(N3CCCCC3)nc2c1N.CCc1nn2c(C)cc(N3CCCCC3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C25H26FN7S.C14H21N5/c1-4-19-23(24-28-21(14-16(2)33(24)30-19)32-12-6-5-7-13-32)31(3)25-29-22(20(15-27)34-25)17-8-10-18(26)11-9-17;1-3-11-13(15)14-16-12(9-10(2)19(14)17-11)18-7-5-4-6-8-18/h8-11,14H,4-7,12-13H2,1-3H3;9H,3-8,15H2,1-2H3
InChIKeyBOMSLEPTGCCLGG-UHFFFAOYSA-N
XLogP7.67
TPSA132.80 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile with MolForge

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Related Compounds

2-[[5-[4-(2-cyclopropyl-2-oxoethyl)piperazin-1-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267742
2-[[2-ethyl-7-methyl-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267870
2-[[2-ethyl-7-methyl-5-[4-(oxane-4-carbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267776
2-[[2-ethyl-7-methyl-5-[2-(1-methylpiperidine-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]pyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267854
2-[[2-ethyl-5-[2-(2-hydroxyacetyl)-2,7-diazaspiro[3.4]octan-7-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267682
tert-butyl 6-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-5-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 152708592
4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-6-fluoropyrazolo[1,5-a]pyridin-5-yl]piperazine-1-carboxylic acid
CID 175436437
2-[[2-ethyl-5-[4-[2-(3-hydroxy-3-methylazetidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;methane
CID 157240713
2-[[2-ethyl-7-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 146267741
1-[5-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-ethylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxylic acid
CID 153366317
2-[[5-[2-(2,2-dimethyl-1,3-dioxane-4-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]-2-ethyl-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 162392254
2-[[2-cyclopropyl-5-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]-7-methylpyrazolo[1,5-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 146267603

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 157412961) is 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nn2c(C)cc(N3CCCCC3)nc2c1N.CCc1nn2c(C)cc(N3CCCCC3)nc2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is BOMSLEPTGCCLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S.C14H21N5/c1-4-19-23(24-28-21(14-16(2)33(24)30-19)32-12-6-5-7-13-32)31(3)25-29-22(20(15-27)34-25)17-8-10-18(26)11-9-17;1-3-11-13(15)14-16-12(9-10(2)19(14)17-11)18-7-5-4-6-8-18/h8-11,14H,4-7,12-13H2,1-3H3;9H,3-8,15H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 734.95 g/mol, XLogP of 7.67, 7 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine;2-[(2-ethyl-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 157412961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).