4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine

C28H31N7S — CID 156749253

IUPAC4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(-c2csc(NC)n2)cc1)c1cc(C)nc2c(-c3cnc(C)cc3C)c(C)nn12
InChIInChI=1S/C28H31N7S/c1-7-34(15-21-8-10-22(11-9-21)24-16-36-28(29-6)32-24)25-13-19(4)31-27-26(20(5)33-35(25)27)23-14-30-18(3)12-17(23)2/h8-14,16H,7,15H2,1-6H3,(H,29,32)
InChIKeyGTENYROJBQGFSX-UHFFFAOYSA-N
MW497.67 g/mol
LogP6.22
Rot. Bonds7

About 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine

4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 156749253) has the molecular formula C28H31N7S and a molecular weight of 497.67 g/mol. Its IUPAC name is 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID156749253
Molecular FormulaC28H31N7S
Molecular Weight497.67 g/mol
Exact Mass497.24
IUPAC Name4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(-c2csc(NC)n2)cc1)c1cc(C)nc2c(-c3cnc(C)cc3C)c(C)nn12
InChIInChI=1S/C28H31N7S/c1-7-34(15-21-8-10-22(11-9-21)24-16-36-28(29-6)32-24)25-13-19(4)31-27-26(20(5)33-35(25)27)23-14-30-18(3)12-17(23)2/h8-14,16H,7,15H2,1-6H3,(H,29,32)
InChIKeyGTENYROJBQGFSX-UHFFFAOYSA-N
XLogP6.22
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.67
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82424450
N,N,2,5-tetramethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71463223
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
N,N-diethyl-4-[2-(methylamino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 9343639
N,N-diethyl-8-(6-methoxy-4-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 42618218
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
N-methyl-4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-amine
CID 9011754
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
4-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 96679580
1-N,1-N-diethyl-4-methyl-3-N-[4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910659

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine (CID 156749253) is 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine is CCN(Cc1ccc(-c2csc(NC)n2)cc1)c1cc(C)nc2c(-c3cnc(C)cc3C)c(C)nn12.
What is the InChIKey of 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is GTENYROJBQGFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7S/c1-7-34(15-21-8-10-22(11-9-21)24-16-36-28(29-6)32-24)25-13-19(4)31-27-26(20(5)33-35(25)27)23-14-30-18(3)12-17(23)2/h8-14,16H,7,15H2,1-6H3,(H,29,32).
What are the key properties of 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine?
4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 497.67 g/mol, XLogP of 6.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[3-(4,6-dimethyl-3-pyridinyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-ethylamino]methyl]phenyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 156749253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).