N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

C27H29N7O3S — CID 148951260

IUPACN-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1
InChIInChI=1S/C27H29N7O3S/c1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)35/h4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36)
InChIKeyPPZOCQFLEXPCNO-UHFFFAOYSA-N
MW531.64 g/mol
LogP4.71
Rot. Bonds8

About N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide

N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (PubChem CID 148951260) has the molecular formula C27H29N7O3S and a molecular weight of 531.64 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
PubChem CID148951260
Molecular FormulaC27H29N7O3S
Molecular Weight531.64 g/mol
Exact Mass531.21
IUPAC NameN-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1
InChIInChI=1S/C27H29N7O3S/c1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)35/h4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36)
InChIKeyPPZOCQFLEXPCNO-UHFFFAOYSA-N
XLogP4.71
TPSA123.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.64
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-(1,3-Thiazol-2-Yl)urea
CID 51035417
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{4-[2-(Pyridin-4-Ylmethoxy)ethyl]-1,3-Thiazol-2-Yl}urea
CID 51035420
1-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]-3-{4-[2-(Pyridin-3-Ylmethoxy)ethyl]-1,3-Thiazol-2-Yl}urea
CID 53470402
Ethyl 2-[4-[3-tert-butyl-5-(1,3-thiazol-2-ylcarbamoylamino)pyrazol-1-yl]phenyl]acetate
CID 57328694
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]urea
CID 72721107
N-{4-[2-(2-{3-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-ureido}-thiazol-5-yl)-ethyl]-pyridin-2-yl}-acetamide
CID 148433438
N-[4-[2-[2-[[5-tert-butyl-2-(3-fluoropholyl)pyrazol-3-yl]carbamoylamino]thiazol-5-yl]ethyl]-2-pyridyl]-2-hydroxy-acetamide
CID 150356162
1-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 151283344
1-[5-tert-Butyl-2-(4-fluoro-phenyl)-2H-pyrazol-3-yl]-3-[5-(2-pyridin-4-yl-ethyl)-thiazol-2-yl]-urea
CID 152241138
N-{4-[2-(2-{3-[5-tert-Butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-ureido}-thiazol-5-yl)-ethyl]-pyridin-2-yl}-acetamide
CID 156239911
1-{5-[2-(2-Amino-pyridin-yl)-ethyl]-thiazol-2-yl}-3-[5-tert-butyl-2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-urea
CID 156239969
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 645190

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide (CID 148951260) is N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C4(C)COC4)nn3-c3ccc(C)cc3)s2)ccn1.
What is the InChIKey of N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
The InChIKey is PPZOCQFLEXPCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O3S/c1-17-4-7-20(8-5-17)34-24(13-22(33-34)27(3)15-37-16-27)31-25(36)32-26-29-14-21(38-26)9-6-19-10-11-28-23(12-19)30-18(2)35/h4-5,7-8,10-14H,6,9,15-16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36).
What are the key properties of N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide?
N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide has a molecular weight of 531.64 g/mol, XLogP of 4.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 148951260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).